3-Bromo-2-butoxyphenylboronic acid

• CAS: 480425-34-1
• Catalog Number: ACM480425341
• Category: Heterocyclic Organic Compound
• Molecular Weight: 272.93g/mol
• Molecular Formula: C10H14BBrO3
• IUPAC Name: (3-bromo-2-butoxyphenyl)boronic acid
• Canonical SMILES: B(C1=C(C(=CC=C1)Br)OCCCC)(O)O
• InChI: InChI=1S/C10H14BBrO3/c1-2-3-7-15-10-8(11(13)14)5-4-6-9(10)12/h4-6,13-14H,2-3,7H2,1H3
• InChI Key: HKYOOGBELZHMIS-UHFFFAOYSA-N
• Complexity: 180
• Covalently-Bonded Unit Count: 1
• Exact Mass: 272.02194g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 272.02194g/mol
• Rotatable Bond Count: 5