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CAS Number: 61220-58-4
2-(6-chloro-1H-indol-3-yl)acetonitrile

Structure

 2-(6-chloro-1H-indol-3-yl)acetonitrile
Name: 2-(6-chloro-1H-indol-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 61220584

CAS Registry Number 61220-58-4
Name:
1H-?Indole-?3-?acetonitrile, 6-?chloro-
Indole-3-acetonitrile, 6-chloro- (7CI)
6-Chloro-1H-indole-3-acetonitrile

 

Chemical Formula: C10H7ClN2
Exact Mass: 190.03
Molecular Weight: 190.63
m/z: 190.03 (100.0%), 192.03 (32.0%), 191.03 (11.6%), 193.03 (3.5%)

 

InChI:InChI=1S/C10H7ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2

InChI Key:RWEBGNJFKXWENX-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)NC=C2CC#N

Specification

98%
References
  1. (1) Li, Jin-Feng; Acta Crystallographica, Section E: Structure Reports Online 2012, V68(1), Po144 CAPLUS
  2. (2) Luo, Yang-Hui; Journal of Molecular Structure 2014, V1076, P679-686 CAPLUS
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