CAS Registry Number: 1193162-21-8

Name:

Benzoic acid, 4-​bromo-​2,​5-​difluoro-​, methyl ester
Methyl 4-​bromo-​2,​5-​difluorobenzoate 

Chemical Formula: C8H5BrF2O2
Exact Mass: 249.94
Molecular Weight: 251.02
m/z: 249.94 (100.0%), 251.94 (97.3%), 250.95 (8.8%), 252.95 (8.6%)
Elemental Analysis: C, 38.28; H, 2.01; Br, 31.83; F, 15.14; O, 12.75

InChI: InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-7(11)5(9)3-6(4)10/h2-3H,1H3
InChIKey: LDJDOESDQOIIGE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1F)Br)F

Specification

98%

PCT Int. Appl. (2014), WO 2014048865 A1 20140403.                                 

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