CAS Registry Number: 790230-04-5

Name:

Benzoic acid, 4-​bromo-​3-​(hydroxymethyl)​-

Chemical Formula: C8H7BrO3
Exact Mass: 229.96
Molecular Weight: 231.04
m/z: 229.96 (100.0%), 231.96 (98.2%), 230.96 (8.8%), 232.96 (8.6%)

InChI: InChI=1S/C8H7BrO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3,10H,4H2,(H,11,12)
InChIKey: ZKHGQEFOBYVUFQ-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(=O)O)CO)Br

Specification

98%

PCT Int. Appl. (2012), WO 2012008435 A1 20120119.                                  

PCT Int. Appl. (2010), WO 2010132016 A1 20101118.