1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid

• Catalog: OFC117685480
• CAS: 117685-48-0
• Category: Fluorinated Quinolines
• Synonyms: 3-Carboxy-1,4-dihydro-6-fluoro-4-oxoquinoline
• MDL Number: MFCD03425825

• IUPAC Name: 6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• InChI Key: KCEJQAATYWQMMQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1F)C(=O)C(=CN2)C(=O)O
• EC Number: 811-899-1

• Molecular Formula: C10H6FNO3
• Molecular Weight: 207.16
• Melting Point: 298-300 °C

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 207.03317122 g/mol
• Monoisotopic Mass: 207.03317122 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 340