5,7-Difluoro-4-hydroxyquinoline-3-carboxylic acid

• Catalog: OFC185804346
• CAS: 185804-34-6
• Category: Fluorinated Quinolines
• Synonyms: 4-Quinolinecarboxylic acid, 5,7-difluoro-1,2-dihydro-3-hydroxy-2-oxo-, ethyl ester
• MDL Number: MFCD31563119

• IUPAC Name: ethyl 5,7-difluoro-3-hydroxy-2-oxo-1H-quinoline-4-carboxylate
• InChI: InChI=1S/C12H9F2NO4/c1-2-19-12(18)9-8-6(14)3-5(13)4-7(8)15-11(17)10(9)16/h3-4,16H,2H2,1H3,(H,15,17)
• InChI Key: VITAGMQGUBZEHJ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=C(C(=O)NC2=C1C(=CC(=C2)F)F)O

• Molecular Formula: C12H9F2NO4
• Molecular Weight: 225.15

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 269.04996409 g/mol
• Monoisotopic Mass: 269.04996409 g/mol
• Topological Polar Surface Area: 75.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 437