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CAS Number: 81630-83-3
2-(5-chloro-1H-indol-3-yl)acetonitrile

Structure

 2-(5-chloro-1H-indol-3-yl)acetonitrile
Name: 2-(5-chloro-1H-indol-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 81630833

CAS Registry Number 81630-83-3
Name:
1H-?Indole-?3-?acetonitrile, 5-?chloro-
5-Chloroindole-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/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2

InChI Key:UHFZUNGNGGEESB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)C(=CN2)CC#N

Specification

98%
References

PCT Int. Appl. (2010), WO 2010150211 A2 20101229. 

PCT Int. Appl. (2001), WO 2001064205 A2 20010907.                                  
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