4-Cyano-2-methylphenylboronic acid

• Catalog Number: ACM313546188
• Product Name: 4-Cyano-2-methylphenylboronic acid
• CAS: 313546-18-8
• Category: Boronic Acids
• IUPAC Name: (4-cyano-2-methylphenyl)boronic acid
• Molecular Weight: 160.97g/mol
• Molecular Formula: C8H8BNO2
• Canonical SMILES: B(C1=C(C=C(C=C1)C#N)C)(O)O
• InChI: InChI=1S/C8H8BNO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,11-12H,1H3
• InChI Key: RGCVYEOTYJCNOS-UHFFFAOYSA-N
• Complexity: 199
• Covalently-Bonded Unit Count: 1
• Exact Mass: 161.064809g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 161.064809g/mol
• Rotatable Bond Count: 1