CAS Registry Number: 913835-75-3

Name:

Benzoic acid, 3-​borono-​4-​chloro-
5-​Carboxy-​2-​chlorophenylboronic 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(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChIKey: ZITWKFSVFMUWIE-UHFFFAOYSA-N
Canonical SMILES : B(C1=C(C=CC(=C1)C(=O)O)Cl)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014008214 A1 20140109.                                  

PCT Int. Appl. (2013), WO 2013075173 A1 20130530.