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CAS Number: 401567-00-8
2-chloro-1H-benzo[d]imidazole-5-carbonitrile

Structure

 2-chloro-1H-benzo[d]imidazole-5-carbonitrile
Name: 2-chloro-1H-benzo[d]imidazole-5-carbonitrile
Synonyms:
General Information
Product Number: 401567008

CAS Registry Number 401567-00-8
Name:
1H-?Benzimidazole-?6-?carbonitrile, 2-?chloro-
1H-Benzimidazole-5-carbonitrile, 2-chloro- (9CI)
2-Chloro-1H-benzimidazole-6-carbonitrile
2-Chloro-1H-benzimidazole-5-carbonitrile
2-Chloro-5-cyanobenzimidazole

 

Chemical Formula: C8H4ClN3
Exact Mass: 177.01
Molecular Weight: 177.59
m/z: 177.01 (100.0%), 179.01 (32.1%), 178.01 (9.8%), 180.01 (2.8%)

 

InChI:InChI=1S/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12)

InChI Key:WDWQXEUJKGYNPZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C#N)NC(=N2)Cl

Specification

98%
References
  1. (1) Ognyanov, Vassil I.; Journal of Medicinal Chemistry 2006, V49(12), P3719-3742 CAPLUS
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