2,3-Dichlorobenzonitrile

C7H3Cl2NCAS 6574-97-6172.01 g/mol

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NClCl
Aryl halideNitrile

Properties

Molecular formula
C7H3Cl2N
Molar mass
172.01 g/mol
Exact mass
170.9643 Da
logP
2.87Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6574-97-6
SMILES
N#Cc1cccc(Cl)c1Cl
InChIKey
OHDYZVVLNPXKDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H

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Names and synonyms

2 names
  • Benzonitrile, 2,3-dichloro-
  • 2,3-Dichlorophenyl cyanide

Work with 2,3-Dichlorobenzonitrile

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-Chlorobenzonitrile873-32-571 % similar 2-Amino-3-chlorobenzonitrile53312-77-959 % similar 3-Chloro-2-methylbenzonitrile54454-12-559 % similar 2-Chloro-3-fluorobenzonitrile874781-08-559 % similar 3-Chloro-2-fluorobenzonitrile94087-40-859 % similar 2,3,4,5-Tetrachlorobenzonitrile36245-95-157 % similar 4,5-Dichlorophthalonitrile139152-08-256 % similar 2,4-Dichloro-3-fluorobenzonitrile161612-68-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichlorobenzonitrile1194-65-6 2,5-Dichlorobenzonitrile21663-61-6 2,4-Dichlorobenzonitrile6574-98-7 3,4-Dichlorobenzonitrile6574-99-8 3,5-Dichlorobenzonitrile6575-00-4

Elsewhere

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