CAS Registry Number: 877151-43-4

Name:

Benzoic acid, 2-​cyano-​4-​fluoro-​6-​methyl-​, methyl ester

Chemical Formula: C10H8FNO2
Exact Mass: 193.05
Molecular Weight: 193.17
m/z: 193.05 (100.0%), 194.06 (11.0%)
Elemental Analysis: C, 62.18; H, 4.17; F, 9.83; N, 7.25; O, 16.56

InChI: InChI=1S/C10H8FNO2/c1-6-3-8(11)4-7(5-12)9(6)10(13)14-2/h3-4H,1-2H3
InChIKey: LVGDEACFPFFUFB-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=CC(=C1)F)C#N)C(=O)OC

Specification

98%

PCT Int. Appl. (2014), WO 2014064149 A1 20140501. 

PCT Int. Appl. (2011), WO 2011006794 A1 20110120.