CAS Registry Number: 334792-52-8

Name:

Benzoic acid, 3-​bromo-​5-​fluoro-​, methyl ester
3-​Bromo-​5-​fluorobenzoic acid methyl ester; Methyl 3-​bromo-​5-​fluorobenzoate 

Chemical Formula: C8H6BrFO2
Exact Mass: 231.95
Molecular Weight: 233.03
m/z: 231.95 (100.0%), 233.95 (97.3%), 232.96 (8.8%), 234.95 (8.4%)
Elemental Analysis: C, 41.23; H, 2.60; Br, 34.29; F, 8.15; O, 13.73

InChI: InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey: JERAACCIOWRRQA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CC(=C1)Br)F

Specification

98%

1. (1) Kubota, Dai; Bioorganic & Medicinal Chemistry 2006, V14(12), P4158-4181 CAPLUS