3-ACETYL-2-FLUOROPHENYLBORONIC ACID

• CAS: 870778-95-3
• Catalog Number: ACM870778953
• Category: Other Products
• Molecular Weight: 181.96g/mol
• Molecular Formula: C8H8BFO3
• IUPAC Name: (3-acetyl-2-fluorophenyl)boronic acid
• Canonical SMILES: B(C1=C(C(=CC=C1)C(=O)C)F)(O)O
• InChI: InChI=1S/C8H8BFO3/c1-5(11)6-3-2-4-7(8(6)10)9(12)13/h2-4,12-13H,1H3
• InChI Key: SEMRLZGDJZRZMC-UHFFFAOYSA-N
• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Exact Mass: 182.055052g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 182.055052g/mol
• Rotatable Bond Count: 2