Ethyl 5,7-difluoro-4-hydroxyquinoline-3-carboxylate

• Catalog: OFC228728823
• CAS: 228728-82-3
• Category: Fluorinated Quinolines
• Synonyms: ethyl 5,7-difluoro-4-hydroxy-3-quinolinecarboxylate
• MDL Number: MFCD00173415

• IUPAC Name: ethyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C12H9F2NO3/c1-2-18-12(17)7-5-15-9-4-6(13)3-8(14)10(9)11(7)16/h3-5H,2H2,1H3,(H,15,16)
• InChI Key: FKEQWKWWJBDSFH-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=C(C1=O)C(=CC(=C2)F)F

• Molecular Formula: C12H9F2NO3
• Molecular Weight: 253.20

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 253.05504947 g/mol
• Monoisotopic Mass: 253.05504947 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 397