4-Benzoylbenzeneboronic acid

• CAS: 268218-94-6
• Catalog Number: ACM268218946
• Category: Other Products
• Molecular Weight: 226.04g/mol
• Molecular Formula: C13H11BO3
• Synonyms: (P-BENZOYLPHENYL)BORONIC ACID;4-BENZOYLPHENYLBORONIC ACID;4-BENZOYLBENZENEBORONIC ACID;AKOS BRN-0029;4-(Phenylcarbonyl)phenylboronic acid;4-Benzoylphenylboronic acid >=95%
• IUPAC Name: (4-benzoylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(O)O
• InChI: InChI=1S/C13H11BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,16-17H
• InChI Key: CWMIVCCXDVRXST-UHFFFAOYSA-N
• Complexity: 253
• Covalently-Bonded Unit Count: 1
• Exact Mass: 226.080124g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 17
• Monoisotopic Mass: 226.080124g/mol
• Rotatable Bond Count: 3