CAS Registry Number: 871332-95-5

Name:

Boronic acid, B-​(4-​chloro-​3-​cyanophenyl)​-
Boronic acid, (4-​chloro-​3-​cyanophenyl)​- (9CI); (4-​Chloro-​3-​cyanophenyl)​boronic acid 

Chemical Formula: C7H5BClNO2
Exact Mass: 181.01
Molecular Weight: 181.38
m/z: 181.01 (100.0%), 183.01 (33.0%), 180.01 (24.8%), 182.01 (15.9%), 184.01 (2.5%), 181.02 (1.9%)

InChI: InChI=1S/C7H5BClNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H
InChIKey: PRPLADNLEYNYFZ-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=C(C=C1)Cl)C#N)(O)O

Specification

98%

PCT Int. Appl. (2013), WO 2013114250 A1 20130808.                                 

PCT Int. Appl. (2013), WO 2013057251 A2 20130425.