CAS Registry Number: 843663-18-3

Name:

Boronic acid, B-​(4-​cyano-​3-​fluorophenyl)​-
Boronic acid, (4-​cyano-​3-​fluorophenyl)​- (9CI); 3-​Fluoro-​4-​cyanophenylboronic acid; 4-​Cyano-​3-​fluorophenylboronic acid 

Chemical Formula: C7H5BFNO2
Exact Mass: 165.04
Molecular Weight: 164.93
m/z: 165.04 (100.0%), 164.04 (24.8%), 166.04 (8.0%), 165.05 (1.9%)
Elemental Analysis: C, 50.98; H, 3.06; B, 6.55; F, 11.52; N, 8.49; O, 19.40

InChI: InChI=1S/C7H5BFNO2/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,11-12H
InChIKey: DECWLXUOZUMPBF-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=C(C=C1)C#N)F)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014055955 A1 20140410.                                 

PCT Int. Appl. (2014), WO 2014019967 A1 20140206.