957065-85-9 Purity
98%
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The molecular formula is C7H5BBrFO4.
The synonyms include 957120-63-7, 3-borono-5-bromo-2-fluorobenzoic acid, 2-Fluoro-3-carboxy-5-bromophenylboronic acid, and 3-borono-5-bromo-2-fluoro-benzoic acid.
The molecular weight is 262.83 g/mol.
The IUPAC name is 3-borono-5-bromo-2-fluorobenzoic acid.
The InChI is InChI=1S/C7H5BBrFO4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,13-14H,(H,11,12).
The InChIKey is RFODFEHCGMALLT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1F)C(=O)O)Br)(O)O.
The CAS number is 957120-63-7.
Yes, 5-Bromo-3-carboxy-2-fluorophenylboronic acid is canonicalized according to PubChem.