2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene

C273H240Br3Cl5F5N9O12S2 — CID 161144222

IUPAC2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene
SMILESCOC(=O)c1cc2ccccc2cc1C.COOSc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1cc2ccccc2cc1[N+](=O)[O-].Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)ccc2c1.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.C12H10O2.3C11H9Br.C11H8Cl2.3C11H9Cl.C11H8F2.3C11H9F.C11H11NO2S.C11H9NO2.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;1-8-2-3-10-7-11(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;1-8-2-3-10-7-11(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;1-8-2-3-10-7-11(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;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;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*2-7H,1H3;2-6H,1H3;3*2-7H,1H3;2-6H,1H3;3*2-7H,1H3;2-7H,12H2,1H3;2-7H,1H3;2-7H,12H2,1H3;2-7,12H,1H3;2-8H,1H3
InChIKeyUNVLSOBNEXNJPY-UHFFFAOYSA-N
MW4415.07 g/mol
LogP78.75
Rot. Bonds13

About 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene

2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene (PubChem CID 161144222) has the molecular formula C273H240Br3Cl5F5N9O12S2 and a molecular weight of 4415.07 g/mol. Its IUPAC name is 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene.

Molecular Properties

Compound Name2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene
PubChem CID161144222
Molecular FormulaC273H240Br3Cl5F5N9O12S2
Molecular Weight4415.07 g/mol
Exact Mass4406.38
IUPAC Name2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene
SMILESCOC(=O)c1cc2ccccc2cc1C.COOSc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1cc2ccccc2cc1[N+](=O)[O-].Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)ccc2c1.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.C12H10O2.3C11H9Br.C11H8Cl2.3C11H9Cl.C11H8F2.3C11H9F.C11H11NO2S.C11H9NO2.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;1-8-2-3-10-7-11(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;1-8-2-3-10-7-11(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;1-8-2-3-10-7-11(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;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;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*2-7H,1H3;2-6H,1H3;3*2-7H,1H3;2-6H,1H3;3*2-7H,1H3;2-7H,12H2,1H3;2-7H,1H3;2-7H,12H2,1H3;2-7,12H,1H3;2-8H,1H3
InChIKeyUNVLSOBNEXNJPY-UHFFFAOYSA-N
XLogP78.75
TPSA365.29 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms309
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004415.07
LogP ≤ 578.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene?
The IUPAC name of 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene (CID 161144222) is 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene.
What is the SMILES notation for 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene?
The canonical SMILES for 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene is COC(=O)c1cc2ccccc2cc1C.COOSc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1cc2ccccc2cc1[N+](=O)[O-].Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)ccc2c1.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-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene?
The InChIKey is UNVLSOBNEXNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C12H12N2.C12H11NO.C12H9N.2C12H13N.C12H12O2S.C12H10O2.3C11H9Br.C11H8Cl2.3C11H9Cl.C11H8F2.3C11H9F.C11H11NO2S.C11H9NO2.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;1-8-2-3-10-7-11(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;1-8-2-3-10-7-11(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;1-8-2-3-10-7-11(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;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;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*2-7H,1H3;2-6H,1H3;3*2-7H,1H3;2-6H,1H3;3*2-7H,1H3;2-7H,12H2,1H3;2-7H,1H3;2-7H,12H2,1H3;2-7,12H,1H3;2-8H,1H3.
What are the key properties of 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene?
2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene has a molecular weight of 4415.07 g/mol, XLogP of 78.75, 13 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;2,3-dichloro-6-methylnaphthalene;2,3-difluoro-6-methylnaphthalene;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-methyl-3-nitronaphthalene is sourced from PubChem (CID 161144222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).