CAS Registry Number: 175278-29-2

Name:

Benzoic acid, 5-​fluoro-​2-​methyl-​, methyl ester
Methyl 5-​fluoro-​2-​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/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey: VXFMZNALKZLCBN-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)F)C(=O)OC

Specification

98%

PCT Int. Appl. (2007), WO 2007039146 A1 20070412.                                 

PCT Int. Appl. (2006), WO 2006116157 A2 20061102.