CAS Registry Number: 27224-09-5

Name:

1-​Isoquinolinecarbonit​rile, 4-​bromo-
Isoquinaldonitrile, 4-​bromo- (8CI); 4-​Bromo-​1-​isoquinolinecarbonit​rile 

Chemical Formula: C10H5BrN2
Exact Mass: 231.96
Molecular Weight: 233.06
m/z: 231.96 (100.0%), 233.96 (97.4%), 234.96 (11.2%), 232.97 (10.9%)

InChI: InChI=1S/C10H5BrN2/c11-9-6-13-10(5-12)8-4-2-1-3-7(8)9/h1-4,6H
InChIKey: WYYWXXFJXOJBBJ-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=CN=C2C#N)Br

Specification

98%

PCT Int. Appl. (2012), WO 2012039717 A1 20120329.                                 

PCT Int. Appl. (2012), WO 2012021591 A1 20120216.