CAS Registry Number: 115871-49-3

Name:

Benzeneacetic acid, 2-​bromo-​4-​chloro-​, methyl ester

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)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
InChIKey: LRGRTSYKKXHITJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1=C(C=C(C=C1)Cl)Br

Specification

98%

Eur. Pat. Appl. (1988), EP 260832 A2 19880323.