5,8-Difluoro-4-hydroxyquinoline-3-carboxylic acid

• Catalog: OFC223690446
• CAS: 223690-44-6
• Category: Fluorinated Quinolines
• Synonyms: 5,8-Difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• MDL Number: MFCD03407972

• IUPAC Name: 5,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5F2NO3/c11-5-1-2-6(12)8-7(5)9(14)4(3-13-8)10(15)16/h1-3H,(H,13,14)(H,15,16)
• InChI Key: FQMPPOUNRNUMIQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1F)C(=O)C(=CN2)C(=O)O)F

• Molecular Formula: C10H5F2NO3
• Molecular Weight: 225.15

• XLogP3-AA: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.02374935 g/mol
• Monoisotopic Mass: 225.02374935 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 369