CAS Registry Number: 148893-72-5

Name:

Benzoic acid, 4-​chloro-​2-​fluoro-​, methyl ester
Methyl 2-​fluoro-​4-​chlorobenzoate; Methyl 4-​chloro-​2-​fluorobenzoate 

Chemical Formula: C8H6ClFO2
Exact Mass: 188.00
Molecular Weight: 188.58
m/z: 188.00 (100.0%), 190.00 (32.0%), 189.01 (8.8%), 191.00 (2.8%)
Elemental Analysis: C, 50.95; H, 3.21; Cl, 18.80; F, 10.07; O, 16.97

InChI: InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey: FBSXNLLHWUMFEW-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=C(C=C1)Cl)F

Specification

98%

1. (1) Boyarskiy, Vadim P.; Journal of Fluorine Chemistry 2010, V131(1), P81-85 CAPLUS