CAS Registry Number: 3951-95-9
Name:

4-bromoisoquinolin-1(2H)-one

4-Bromo-1(2H)-isoquinolone

Chemical Formula: C9H6BrNO
Exact Mass: 222.96
Molecular Weight: 224.05
m/z: 222.96 (100.0%), 224.96 (97.3%), 223.97 (9.8%), 225.96 (9.8%)

InChI
InChI=1S/C9H6BrNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)
InChI Key
ZOPUFLIYIMVOGZ-UHFFFAOYSA-N
Canonical SMILES
C1=CC=C2C(=C1)C(=CNC2=O)Br

Specification

98%

JBIC, Journal of Biological Inorganic Chemistry (2018), 23(7), 1129-1138.  

ACS Sustainable Chemistry & Engineering (2017), 5(11), 10407-10412