CAS Registry Number: 872460-12-3

Name:

Benzoic acid, 5-​borono-​2-​fluoro-
3-​Carboxy-​4-​fluorophenylboronic acid; 5-​(Dihydroxyboryl)​-​2-​fluorobenzoic acid; 5-​Borono-​2-​fluorobenzoic acid; [4-​Fluoro-​3-​carboxyphenyl]​boronic acid 

Chemical Formula: C7H6BFO4
Exact Mass: 184.03
Molecular Weight: 183.93
m/z: 184.03 (100.0%), 183.04 (24.8%), 185.04 (8.1%), 184.04 (1.9%), 186.04 (1.1%)

InChI: InChI=1S/C7H6BFO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChIKey: DGORTXQWDDXSIQ-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=C(C=C1)F)C(=O)O)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014019186 A1 20140206.                                 

PCT Int. Appl. (2014), WO 2014022528 A1 20140206.