CAS Registry Number: 362601-90-9

Name:

Benzoic acid, 2,​5-​difluoro-​, methyl ester
2,​5-​Difluorobenzoic acid methyl ester 

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)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey: UDBLTZWJCWPYBA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)F)F

Specification

98%

PCT Int. Appl. (2009), WO 2009154563 A1 20091223.                                  

PCT Int. Appl. (2007), WO 2007003521 A2 20070111.