CAS Registry Number: 125568-73-2

Name:

Benzoic acid, 5-​amino-​2,​4-​difluoro-​, methyl ester

Chemical Formula: C8H7F2NO2
Exact Mass: 187.04
Molecular Weight: 187.14
m/z: 187.04 (100.0%), 188.05 (8.8%)
Elemental Analysis: C, 51.34; H, 3.77; F, 20.30; N, 7.48; O, 17.10

InChI: InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
InChIKey: HHAREYZKVHGBEP-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1F)F)N

Specification

98%

PCT Int. Appl. (2009), WO 2009075960 A1 20090618.

PCT Int. Appl. (2009), WO 2009058919 A1 20090507.