1-(1-Chloroethyl)-2,3-dimethylbenzene

C₁₀H₁₃ClCAS 60907-88-2168.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃Cl
Molar mass: 168.66 g/mol
Exact mass: 168.0706 Da
logP: 3.60Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

60907-88-2

SMILES

Cc1cccc(C(C)Cl)c1C

InChIKey

QCZFALDMBXRELM-UHFFFAOYSA-N

InChI

InChI=1S/C10H13Cl/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6,9H,1-3H3

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Names and synonyms

3 names

Benzene, 1-(1-chloroethyl)-2,3-dimethyl-
1-(2,3-Dimethylphenyl)ethyl chloride
α,2,3-Trimethylbenzyl chloride

Work with 1-(1-Chloroethyl)-2,3-dimethylbenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-2,3-dimethylbenzene608-23-147 % similar Medetomidine106807-72-144 % similar Dexmedetomidine113775-47-644 % similar Medetomidine86347-14-044 % similar 1-Iodo-2,3-dimethylbenzene31599-60-742 % similar O-Cymene527-84-442 % similar 1-Bromo-2,3-dimethylbenzene576-23-842 % similar 2,3-Xylidine87-59-242 % similar

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

Same formula

1-Butyl-4-chlorobenzene15499-27-1 2,4,6-Trimethylbenzyl chloride1585-16-6 4-Isopropylbenzyl chloride2051-18-5 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-3 1-Chloro-4-phenylbutane4830-93-7 Neophyl chloride515-40-2

Elsewhere

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