4-Acetamidophenylboronic acid

• CAS: 101251-09-6
• Catalog Number: ACM101251096
• Category: Boronic Acids
• Molecular Weight: 178.98g/mol
• Molecular Formula: C8H10BNO3
• IUPAC Name: (4-acetamidophenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)NC(=O)C)(O)O
• InChI: InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
• InChI Key: VYEWTHXZHHATTA-UHFFFAOYSA-N
• Complexity: 178
• Covalently-Bonded Unit Count: 1
• Exact Mass: 179.075373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 13
• Monoisotopic Mass: 179.075373g/mol
• Rotatable Bond Count: 2