chempirical

2-Chloro-6-methylbenzonitrile

C8H6ClNCAS 6575-09-3151.59 g/mol

Open in Covalent MOL file
ClN
Aryl halideNitrile

Properties

Molecular formula
C8H6ClN
Molar mass
151.59 g/mol
Exact mass
151.0189 Da
Melting point
83–85 °C
logP
2.52Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
6575-09-3
SMILES
Cc1cccc(Cl)c1C#N
InChIKey
WQWQHJNUHQEGTN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzonitrile, 2-chloro-6-methyl-
  • o-Tolunitrile, 6-chloro-
  • 2-Cyano-3-chlorotoluene
  • 6-Chloro-2-methylbenzonitrile
  • 1-Cyano-2-chloro-6-methylbenzene
  • NSC 80657

Work with 2-Chloro-6-methylbenzonitrile

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

2,6-Dimethylbenzonitrile6575-13-972 % similar 2,6-Dichlorobenzonitrile1194-65-668 % similar 2-Amino-6-chlorobenzonitrile6575-11-755 % similar 2-Chloro-6-fluorobenzonitrile668-45-155 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-250 % similar 2-Methyl-6-nitrobenzonitrile1885-76-349 % similar 2,3-Dichlorotoluene32768-54-048 % similar 1-Chloro-2,3-dimethylbenzene608-23-148 % similar

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

Same formula

(4-Chlorophenyl)acetonitrile140-53-4 3-Chlorobenzeneacetonitrile1529-41-5 5-Chloroindole17422-32-1 6-Chloroindole17422-33-2 3-Chloro-4-methylbenzonitrile21423-81-4 4-Chloroindole25235-85-2 (2-Chlorophenyl)acetonitrile2856-63-5 4-Chloro-2-methylbenzonitrile50712-68-0

Elsewhere

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