CAS Registry Number: 164149-28-4

Name:

Benzoic acid, 4-​cyano-​2-​fluoro-
2-​Fluoro-​4-​cyanobenzoic acid; 4-​Carboxy-​3-​fluorobenzonitrile; 4-​Cyano-​2-​fluorobenzoic acid 

Chemical Formula: C8H4FNO2
Exact Mass: 165.02
Molecular Weight: 165.12
m/z: 165.02 (100.0%), 166.03 (8.8%)

InChI: InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)
InChIKey: KEJMSTJTAWACNI-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C#N)F)C(=O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014085210 A1 20140605.

PCT Int. Appl. (2014), WO 2014057078 A1 20140417.