4-(Bromomethyl)phenylboronic acid

• Catalog Number: ACM68162470
• Product Name: 4-(Bromomethyl)phenylboronic acid
• CAS: 68162-47-0
• Category: Boronic Acids
• Synonyms: α-Bromo-p-tolueneboronic acid
• IUPAC Name: [4-(bromomethyl)phenyl]boronic acid
• Molecular Weight: 214.85
• Molecular Formula: C7H8BBrO2
• Canonical SMILES: B(C1=CC=C(C=C1)CBr)(O)O
• InChI: InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
• InChI Key: PDNOURKEZJZJNZ-UHFFFAOYSA-N
• Boiling Point: 343.1±44.0 °C
• Melting Point: 173-177 °C
• Density: 1.57±0.1 g/ml
• Complexity: 113
• Covalently-Bonded Unit Count: 1
• Exact Mass: 213.98007g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 213.98007g/mol
• Rotatable Bond Count: 2