3-BROMO-2-PROPOXYPHENYLBORONIC ACID

• CAS: 848779-86-2
• Catalog Number: ACM848779862
• Category: Other Products
• Molecular Weight: 258.91g/mol
• Molecular Formula: C9H12BBrO3
• IUPAC Name: (3-bromo-2-propoxyphenyl)boronic acid
• Canonical SMILES: B(C1=C(C(=CC=C1)Br)OCCC)(O)O
• InChI: InChI=1S/C9H12BBrO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5,12-13H,2,6H2,1H3
• InChI Key: QILIDAIRUWTFHF-UHFFFAOYSA-N
• Complexity: 168
• Covalently-Bonded Unit Count: 1
• Exact Mass: 258.00629g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 258.00629g/mol
• Rotatable Bond Count: 4