2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene

C271H230Br5Cl6F6N7O9S — CID 158509147

IUPAC2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene
SMILESCC(=O)c1cc2ccccc2cc1C.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1cc2ccccc2cc1[N+](=O)[O-].Cc1ccc2cc(Br)c(Br)cc2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)ccc2c1.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/C13H12O.C12H12N2.C12H11NO.C12H9N.C12H10O2.C12H12.C11H8Br2.3C11H9Br.C11H8Cl2.C11H8ClF.3C11H9Cl.C11H8F2.3C11H9F.C11H11NO2S.C11H9NO2.C11H11N.C11H10O.C11H10/c1-9-7-11-5-3-4-6-12(11)8-13(9)10(2)14;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;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;1-8-2-3-10-7-11(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;1-7-2-3-8-6-11(13)10(12)5-9(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;2-7H,1H3,(H,13,14);3-8H,1-2H3;2-6H,1H3;3*2-7H,1H3;2*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
InChIKeyHKVHCJQWLKRVIY-UHFFFAOYSA-N
MW4487.15 g/mol
LogP82.29
Rot. Bonds8

About 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene

2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene (PubChem CID 158509147) has the molecular formula C271H230Br5Cl6F6N7O9S and a molecular weight of 4487.15 g/mol. Its IUPAC name is 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene
PubChem CID158509147
Molecular FormulaC271H230Br5Cl6F6N7O9S
Molecular Weight4487.15 g/mol
Exact Mass4476.14
IUPAC Name2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene
SMILESCC(=O)c1cc2ccccc2cc1C.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1cc2ccccc2cc1[N+](=O)[O-].Cc1ccc2cc(Br)c(Br)cc2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)ccc2c1.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/C13H12O.C12H12N2.C12H11NO.C12H9N.C12H10O2.C12H12.C11H8Br2.3C11H9Br.C11H8Cl2.C11H8ClF.3C11H9Cl.C11H8F2.3C11H9F.C11H11NO2S.C11H9NO2.C11H11N.C11H10O.C11H10/c1-9-7-11-5-3-4-6-12(11)8-13(9)10(2)14;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;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;1-8-2-3-10-7-11(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;1-7-2-3-8-6-11(13)10(12)5-9(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;2-7H,1H3,(H,13,14);3-8H,1-2H3;2-6H,1H3;3*2-7H,1H3;2*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
InChIKeyHKVHCJQWLKRVIY-UHFFFAOYSA-N
XLogP82.29
TPSA285.56 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004487.15
LogP ≤ 582.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene (CID 158509147) is 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene is CC(=O)c1cc2ccccc2cc1C.Cc1cc2ccccc2cc1Br.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2cc1C(=O)O.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1N.Cc1cc2ccccc2cc1O.Cc1cc2ccccc2cc1SOON.Cc1cc2ccccc2cc1[N+](=O)[O-].Cc1ccc2cc(Br)c(Br)cc2c1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)c(Cl)cc2c1.Cc1ccc2cc(Cl)ccc2c1.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-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene?
The InChIKey is HKVHCJQWLKRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C12H12N2.C12H11NO.C12H9N.C12H10O2.C12H12.C11H8Br2.3C11H9Br.C11H8Cl2.C11H8ClF.3C11H9Cl.C11H8F2.3C11H9F.C11H11NO2S.C11H9NO2.C11H11N.C11H10O.C11H10/c1-9-7-11-5-3-4-6-12(11)8-13(9)10(2)14;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;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;1-8-2-3-10-7-11(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;1-7-2-3-8-6-11(13)10(12)5-9(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;2-7H,1H3,(H,13,14);3-8H,1-2H3;2-6H,1H3;3*2-7H,1H3;2*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;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene?
2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene has a molecular weight of 4487.15 g/mol, XLogP of 82.29, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylnaphthalene;2-bromo-6-methylnaphthalene;2-bromo-7-methylnaphthalene;3-chloro-2-fluoro-6-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;2,3-dimethylnaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-fluoro-7-methylnaphthalene;2-isocyano-3-methylnaphthalene;3-methylnaphthalen-2-amine;2-methylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-carboxylic acid;3-methylnaphthalen-2-ol;1-(3-methylnaphthalen-2-yl)ethanone;O-(3-methylnaphthalen-2-yl)sulfanyloxyhydroxylamine;2-methyl-3-nitronaphthalene is sourced from PubChem (CID 158509147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).