CAS Registry Number: 685892-23-3

Name:

Benzoic acid, 2-​bromo-​6-​chloro-​, methyl ester
Methyl 2-​bromo-​6-​chlorobenzoate 

Chemical Formula: C8H6BrClO2
Exact Mass: 247.92
Molecular Weight: 249.49
m/z: 249.92 (100.0%), 247.92 (77.4%), 251.92 (24.1%), 248.93 (6.8%), 250.93 (6.7%), 250.92 (2.1%), 252.92 (2.1%)
Elemental Analysis: C, 38.51; H, 2.42; Br, 32.03; Cl, 14.21; O, 12.83

InChI: InChI=1S/C8H6BrClO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChIKey: XSNZTSBNXMQBRI-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC=C1Br)Cl

Specification

98%

PCT Int. Appl. (2014), WO 2014026327 A1 20140220.

PCT Int. Appl. (2014), WO 2014028589 A2 20140220.