6-Bromo-8-fluoro-4-hydroxyquinoline-3-carboxylic acid

• Catalog: OFC1019016079
• CAS: 1019016-07-9
• Category: Fluorinated Quinolines
• Synonyms: 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic Acid
• MDL Number: MFCD09861321

• IUPAC Name: 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5BrFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
• InChI Key: JQJQQEWGNXPSQV-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1C(=O)C(=CN2)C(=O)O)F)Br

• Molecular Formula: C10H5BrFNO3
• Molecular Weight: 286.05

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 284.94368 g/mol
• Monoisotopic Mass: 284.94368 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 371