CAS Registry Number: 850568-74-0

Name:

Boronic acid, B-​[3-​(aminosulfonyl)​phenyl]​-
Boronic acid, [3-​(aminosulfonyl)​phenyl]​- (9CI); (3-​Sulfamoylphenyl)​boronic acid; [3-​(Aminosulfonyl)​phenyl]​boronic acid 

Chemical Formula: C6H8BNO4S
Exact Mass: 201.03
Molecular Weight: 201.01
m/z: 201.03 (100.0%), 200.03 (24.4%), 202.03 (8.7%), 203.02 (4.4%), 203.03 (1.1%)
Elemental Analysis: C, 35.85; H, 4.01; B, 5.38; N, 6.97; O, 31.84; S, 15.95

InChI: InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)
InChIKey: PMNJSWJJYWZLHU-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=CC=C1)S(=O)(=O)N)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014110297 A1 20140717.

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