CAS Registry Number: 220464-68-6

Name:

Benzoic acid, 3-​(bromomethyl)​-​4-​chloro-​, methyl ester
Methyl 3-​bromomethyl-​4-​chlorobenzoate 

Chemical Formula: C9H8BrClO2
Exact Mass: 261.94
Molecular Weight: 263.52
m/z: 263.94 (100.0%), 261.94 (77.1%), 265.93 (24.0%), 264.94 (9.9%), 262.94 (7.6%), 266.94 (2.4%)
Elemental Analysis: C, 41.02; H, 3.06; Br, 30.32; Cl, 13.45; O, 12.14

InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChIKey: OXXGTEJKZZKAJV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)Cl)CBr

Specification

98%

1. (1) Tsukamoto, Takashi; WO 2002057222 A2 2002 CAPLUS