CAS Registry Number: 216393-55-4

Name:

Benzoic acid, 3,​5-​difluoro-​, methyl ester
3,​5-​Difluorobenzoic acid methyl ester; Methyl 3,​5-​difluorobenzoate 

Chemical Formula: C8H6F2O2
Exact Mass: 172.03
Molecular Weight: 172.13
m/z: 172.03 (100.0%), 173.04 (8.8%)
Elemental Analysis: C, 55.82; H, 3.51; F, 22.07; O, 18.59

InChI: InChI=1S/C8H6F2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey: JBEJPGWPXIIQBB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CC(=C1)F)F

Specification

98%

PCT Int. Appl. (2014), WO 2014099880 A1 20140626.

PCT Int. Appl. (2013), WO 2013186692 A1 20131219.