1-(Chloromethyl)-2-methylnaphthalene

C₁₂H₁₁ClCAS 6626-23-9190.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁Cl
Molar mass: 190.67 g/mol
Exact mass: 190.0549 Da
Melting point: 65 °C
Boiling point: 125–126 °C
logP: 3.89Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

6626-23-9

SMILES

Cc1ccc2ccccc2c1CCl

InChIKey

STBYRSZXHDPASK-UHFFFAOYSA-N

InChI

InChI=1S/C12H11Cl/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-7H,8H2,1H3

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Names and synonyms

4 names

Naphthalene, 1-(chloromethyl)-2-methyl-
1-Chloromethyl-2-methylnaphthalene
NSC 59830
2-Methyl-1-chloromethylnaphthalene

Work with 1-(Chloromethyl)-2-methylnaphthalene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

9-(Chloromethyl)anthracene24463-19-257 % similar 1,2-Dimethylnaphthalene573-98-852 % similar 9,10-Bis(chloromethyl)anthracene10387-13-050 % similar Methylcholanthrene56-49-549 % similar 2-Methyl-1-naphthalenamine2246-44-848 % similar 1-Bromo-2-methylnaphthalene2586-62-148 % similar Methylnaphthalene1321-94-447 % similar 1-Methylnaphthalene90-12-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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