CAS Registry Number: 180636-50-4

Name:

Benzoic acid, 4-​fluoro-​3-​methyl-​, methyl ester
4-​Fluoro-​3-​methylbenzoic acid methyl ester; Methyl 4-​fluoro-​3-​methylbenzoate 

Chemical Formula: C9H9FO2
Exact Mass: 168.06
Molecular Weight: 168.16
m/z: 168.06 (100.0%), 169.06 (9.9%)
Elemental Analysis: C, 64.28; H, 5.39; F, 11.30; O, 19.03

InChI: InChI=1S/C9H9FO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChIKey: OCDIFIYFPFLAOU-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1)C(=O)OC)F

Specification

98%

1. (1) Scribner, Andrew; European Journal of Medicinal Chemistry 2007, V42(11-12), P1334-1357 CAPLUS