874219-45-1 Purity
98%
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Specification
The molecular formula is C13H11BBrNO3.
The molecular weight is 319.95 g/mol.
The IUPAC name is [4-[(4-bromophenyl)carbamoyl]phenyl]boronic acid.
The InChI is InChI=1S/C13H11BBrNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17).
The InChIKey is FBTLHSKBTDKVGQ-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)(O)O.
The CAS number is 874287-99-7.
It has 3 Hydrogen Bond Donor Counts.
The exact mass is 319.00154 g/mol.
Yes, the Compound Is Canonicalized for 4-(4-Bromophenylcarbamoyl)phenylboronic acid.