CAS Registry Number: 913835-32-2

Name:

Benzoic acid, 5-​borono-​2-​chloro-
5-​Borono-​2-​chlorobenzoic acid 

Chemical Formula: C7H6BClO4
Exact Mass: 200.00
Molecular Weight: 200.38
m/z: 200.00 (100.0%), 202.00 (32.0%), 199.01 (24.8%), 201.01 (15.9%), 203.01 (2.6%), 200.01 (1.9%), 202.01 (1.7%)

InChI: InChI=1S/C7H6BClO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChIKey: RHIXAJHFXGTSAL-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=C(C=C1)Cl)C(=O)O)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014122267 A1 20140814.                                 

PCT Int. Appl. (2012), WO 2012131297 A1 20121004.