Ethyl 6-chloro-7-fluoro-4-hydroxyquinoline-3-carboxylate

• Catalog: OFC836619808
• CAS: 836619-80-8
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010426

• IUPAC Name: ethyl 6-chloro-7-fluoro-4-oxo-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C12H9ClFNO3/c1-2-18-12(17)7-5-15-10-4-9(14)8(13)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16)
• InChI Key: JYSGXHURLLJLIQ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)Cl)F

• Molecular Formula: C12H9ClFNO3
• Molecular Weight: 269.66

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.0254990 g/mol
• Monoisotopic Mass: 269.0254990 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 399