CAS Registry Number: 89891-69-0

Name:

Benzonitrile, 3-​bromo-​4-​formyl-
Benzaldehyde, 2-​bromo-​4-​cyano- (7CI); 2-​Bromo-​4-​cyanobenzaldehyde; 3-​Bromo-​4-​formylbenzonitrile 

Chemical Formula: C8H4BrNO
Exact Mass: 208.95
Molecular Weight: 210.03
m/z: 208.95 (100.0%), 210.95 (97.8%), 209.95 (8.7%), 211.95 (8.5%)
Elemental Analysis: C, 45.75; H, 1.92; Br, 38.04; N, 6.67; O, 7.62

InChI: InChI=1S/C8H4BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,5H
InChIKey: ADHKMYHLJHBOKB-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C#N)Br)C=O

Specification

98%

1. (1) Dubost, Emmanuelle; Journal of Organic Chemistry 2011, V76(15), P6414-6420 CAPLUS