4-Bromo-2-fluorobenzoic acid

• Catalog Number: ACM112704797
• Product Name: 4-Bromo-2-fluorobenzoic acid
• CAS: 112704-79-7
• Category: Bromine Series
• Synonyms: Benzoic acid, 4-bromo-2-fluoro-
• IUPAC Name: 4-bromo-2-fluorobenzoic acid
• Molecular Weight: 219.01
• Molecular Formula: C7H4BrFO2
• Canonical SMILES: C1=CC(=C(C=C1Br)F)C(=O)O
• InChI: InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
• InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-N
• Boiling Point: 289.4±25.0 ºC
• Melting Point: 211-215 ºC (lit.)
• Density: 1.721 g/ml
• Complexity: 163
• Covalently-Bonded Unit Count: 1
• Exact Mass: 217.93787g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 217.93787g/mol
• NSC Number: 190364
• Rotatable Bond Count: 1
• XLogP3: 3.1