6,7-Difluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC103994996
• CAS: 103994-99-6
• Category: Fluorinated Quinolines
• Synonyms: 1-(4-Fluorophenyl)-4-oxo-6,7-difluoro-1,4-dihydroquinoline-3-carboxylic acid
• Purity: >95%
• MDL Number: MFCD11500675

• IUPAC Name: 6,7-difluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C16H8F3NO3/c17-8-1-3-9(4-2-8)20-7-11(16(22)23)15(21)10-5-12(18)13(19)6-14(10)20/h1-7H,(H,22,23)
• InChI Key: RWCWKPZDWFXAFG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O)F

• Molecular Formula: C16H8F3NO3
• Molecular Weight: 319.23
• Storage: Sealed in dry, 2-8 °C

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 319.04562760 g/mol
• Monoisotopic Mass: 319.04562760 g/mol
• Topological Polar Surface Area: 57.6Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 531