chempirical

2-Chloromesitylene

C9H11ClCAS 1667-04-5154.64 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C9H11Cl
Molar mass
154.64 g/mol
Exact mass
154.0549 Da
logP
3.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1667-04-5
SMILES
CC1=CC(=C(C(=C1)C)Cl)C
InChIKey
WDZACGWEPQLKOM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

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Names and synonyms

1 names
  • Mesityl chloride

Work with 2-Chloromesitylene

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

Chloroxylenol88-04-057 % similar Isodurene527-53-752 % similar 2-Chloro-1,3-dimethylbenzene6781-98-252 % similar 4,6,8-Trimethylazulene941-81-152 % similar 4-Chloro-3,5-dibromotoluene202925-05-150 % similar Iodomesitylene4028-63-150 % similar 2,4,6-Trimethylbenzyl chloride1585-16-648 % similar 2,4,6-Trimethylbenzonitrile2571-52-048 % similar

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

Same formula

3,4-Dimethylbenzyl chloride102-46-5 1-Chloro-3-phenylpropane104-52-9 4-Ethylbenzyl chloride1467-05-6 3,5-Dimethylbenzyl chloride2745-54-2 2,5-Dimethylbenzyl chloride824-45-3 2,4-Dimethylbenzyl chloride824-55-5 (1-Chloro-1-methylethyl)benzene934-53-2

Elsewhere

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