CAS Registry Number: 90271-86-6

Name:

1H-​Indole-​3-​carbonitrile, 5-​bromo-
Indole-​3-​carbonitrile, 5-​bromo- (6CI,​7CI); 5-​Bromo-​1H-​indole-​3-​carbonitrile; 5-​Bromo-​3-​cyano-​1H-​indole; 5-​Bromoindole-​3-​carbonitrile 

Chemical Formula: C9H5BrN2
Exact Mass: 219.96
Molecular Weight: 221.05
m/z: 219.96 (100.0%), 221.96 (97.4%), 222.96 (10.2%), 220.97 (9.8%)

InChI: InChI=1S/C9H5BrN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H
InChIKey: ZPUQCVKBNRGSAP-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Br)C(=CN2)C#N

Specification

98%

PCT Int. Appl. (2012), WO 2012037299 A2 20120322.                                 

PCT Int. Appl. (2010), WO 2010051206 A1 20100506.