Ethyl 8-fluoro-4-hydroxy-5-methylquinoline-3-carboxylate

• Catalog: OFC329698706
• CAS: 329698-70-6
• Category: Fluorinated Quinolines
• Synonyms: ethyl 8-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylate
• MDL Number: MFCD02169442

• IUPAC Name: ethyl 8-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C13H12FNO3/c1-3-18-13(17)8-6-15-11-9(14)5-4-7(2)10(11)12(8)16/h4-6H,3H2,1-2H3,(H,15,16)
• InChI Key: WXTJXMZDOOCUSN-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=C(C=CC(=C2C1=O)C)F

• Molecular Formula: C13H12FNO3
• Molecular Weight: 249.24

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.08012141 g/mol
• Monoisotopic Mass: 249.08012141 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 394