2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine

C362H307Br8Cl8F13N8O10S2 — CID 160622060

IUPAC2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine
SMILESCOC(=O)c1cc2ccccc2cc1C.COOSc1cc2ccccc2cc1C.Cc1cc2ccc(Br)cc2cc1F.Cc1cc2ccc(Cl)cc2cc1F.Cc1cc2ccc(F)cc2cc1F.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1ccc2cc(Br)c(Br)cc2c1.Cc1ccc2cc(Br)c(F)cc2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)c(F)cc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)c(Br)cc2c1.Cc1ccc2cc(F)c(Cl)cc2c1.Cc1ccc2cc(F)c(F)cc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.[C-]#[N+]c1cc2ccccc2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C13H12O2.C12H12N2.C12H11NO.C12H9N.2C12H13N.C12H12O2S.C12H10O2.C12H12.C11H8Br2.3C11H8BrF.3C11H9Br.C11H8Cl2.3C11H8ClF.3C11H9Cl.2C11H8F2.3C11H9F.C11H11NO2S.C11H11N.C11H10O.C11H10/c1-9-7-10-5-3-4-6-11(10)8-12(9)13(14)15-2;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-7-10-5-3-4-6-11(10)8-12(9)13-2;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15-14-13-2;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-6-11(13)10(12)5-9(8)4-7;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-6-11(13)10(12)5-9(8)4-7;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15-14-13-12;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);3-8H,1H3;2*2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3,(H,13,14);3-8H,1-2H3;4*2-6H,1H3;3*2-7H,1H3;4*2-6H,1H3;3*2-7H,1H3;2*2-6H,1H3;3*2-7H,1H3;2-7H,12H2,1H3;2-7H,12H2,1H3;2-7,12H,1H3;2-8H,1H3
InChIKeyRGVHGKYCHMKFEA-UHFFFAOYSA-N
MW6163.45 g/mol
LogP111.22
Rot. Bonds12

About 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine

2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine (PubChem CID 160622060) has the molecular formula C362H307Br8Cl8F13N8O10S2 and a molecular weight of 6163.45 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine
PubChem CID160622060
Molecular FormulaC362H307Br8Cl8F13N8O10S2
Molecular Weight6163.45 g/mol
Exact Mass6147.40
IUPAC Name2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine
SMILESCOC(=O)c1cc2ccccc2cc1C.COOSc1cc2ccccc2cc1C.Cc1cc2ccc(Br)cc2cc1F.Cc1cc2ccc(Cl)cc2cc1F.Cc1cc2ccc(F)cc2cc1F.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1ccc2cc(Br)c(Br)cc2c1.Cc1ccc2cc(Br)c(F)cc2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)c(F)cc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)c(Br)cc2c1.Cc1ccc2cc(F)c(Cl)cc2c1.Cc1ccc2cc(F)c(F)cc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.[C-]#[N+]c1cc2ccccc2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C13H12O2.C12H12N2.C12H11NO.C12H9N.2C12H13N.C12H12O2S.C12H10O2.C12H12.C11H8Br2.3C11H8BrF.3C11H9Br.C11H8Cl2.3C11H8ClF.3C11H9Cl.2C11H8F2.3C11H9F.C11H11NO2S.C11H11N.C11H10O.C11H10/c1-9-7-10-5-3-4-6-11(10)8-12(9)13(14)15-2;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-7-10-5-3-4-6-11(10)8-12(9)13-2;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15-14-13-2;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-6-11(13)10(12)5-9(8)4-7;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-6-11(13)10(12)5-9(8)4-7;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15-14-13-12;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);3-8H,1H3;2*2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3,(H,13,14);3-8H,1-2H3;4*2-6H,1H3;3*2-7H,1H3;4*2-6H,1H3;3*2-7H,1H3;2*2-6H,1H3;3*2-7H,1H3;2-7H,12H2,1H3;2-7H,12H2,1H3;2-7,12H,1H3;2-8H,1H3
InChIKeyRGVHGKYCHMKFEA-UHFFFAOYSA-N
XLogP111.22
TPSA322.15 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms411
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006163.45
LogP ≤ 5111.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine?
The IUPAC name of 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine (CID 160622060) is 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine.
What is the SMILES notation for 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine?
The canonical SMILES for 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine is COC(=O)c1cc2ccccc2cc1C.COOSc1cc2ccccc2cc1C.Cc1cc2ccc(Br)cc2cc1F.Cc1cc2ccc(Cl)cc2cc1F.Cc1cc2ccc(F)cc2cc1F.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1ccc2cc(Br)c(Br)cc2c1.Cc1ccc2cc(Br)c(F)cc2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)c(F)cc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)c(Br)cc2c1.Cc1ccc2cc(F)c(Cl)cc2c1.Cc1ccc2cc(F)c(F)cc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2ccc(F)cc2c1.Cc1ccc2ccccc2c1.[C-]#[N+]c1cc2ccccc2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C.
What is the InChIKey of 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine?
The InChIKey is RGVHGKYCHMKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C12H12N2.C12H11NO.C12H9N.2C12H13N.C12H12O2S.C12H10O2.C12H12.C11H8Br2.3C11H8BrF.3C11H9Br.C11H8Cl2.3C11H8ClF.3C11H9Cl.2C11H8F2.3C11H9F.C11H11NO2S.C11H11N.C11H10O.C11H10/c1-9-7-10-5-3-4-6-11(10)8-12(9)13(14)15-2;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-7-10-5-3-4-6-11(10)8-12(9)13-2;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15-14-13-2;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-6-11(13)10(12)5-9(8)4-7;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-6-11(13)10(12)5-9(8)4-7;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-2-3-8-5-10(12)11(13)6-9(8)4-7;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15-14-13-12;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);3-8H,1H3;2*2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3,(H,13,14);3-8H,1-2H3;4*2-6H,1H3;3*2-7H,1H3;4*2-6H,1H3;3*2-7H,1H3;2*2-6H,1H3;3*2-7H,1H3;2-7H,12H2,1H3;2-7H,12H2,1H3;2-7,12H,1H3;2-8H,1H3.
What are the key properties of 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine?
2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine has a molecular weight of 6163.45 g/mol, XLogP of 111.22, 12 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methylnaphthalene;3-bromo-2-fluoro-6-methylnaphthalene;6-bromo-3-fluoro-2-methylnaphthalene;2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-fluoro-6-methylnaphthalene;3-chloro-2-fluoro-6-methylnaphthalene;6-chloro-3-fluoro-2-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dibromo-6-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;3,6-difluoro-2-methylnaphthalene;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;methyl 3-methylnaphthalene-2-carboxylate;2-methyl-3-methylperoxysulfanylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;bis((3-methylnaphthalen-2-yl)methanamine);O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine is sourced from PubChem (CID 160622060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).