CAS Registry Number: 71887-28-0

Name:

Benzoic acid, 2-​(bromomethyl)​-​3-​methoxy-​, methyl ester
2-​Bromomethyl-​3-​methoxybenzoic acid methyl ester; Methyl 2-​(bromomethyl)​-​3-​methoxybenzoate 

Chemical Formula: C10H11BrO3
Exact Mass: 257.99
Molecular Weight: 259.10
m/z: 257.99 (100.0%), 259.99 (97.9%), 258.99 (10.9%), 260.99 (10.8%), 261.99 (1.1%)
Elemental Analysis: C, 46.36; H, 4.28; Br, 30.84; O, 18.53

InChI: InChI=1S/C10H11BrO3/c1-13-9-5-3-4-7(8(9)6-11)10(12)14-2/h3-5H,6H2,1-2H3
InChIKey: HYLGKOGJOVGRNN-UHFFFAOYSA-N
Canonical SMILES : COC1=CC=CC(=C1CBr)C(=O)OC

Specification

98%

1. (1) Tang, Ying; European Journal of Inorganic Chemistry 2011, (7), P1112-1120 CAPLUS
2. (2) Pellicciari, Roberto; ChemMedChem 2008, V3(6), P914-923 CAPLUS
3. (3) Hormann, Robert Eugene; WO 2004078924 A2 2004 CAPLUS