7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

• Catalog: OFC68077269
• CAS: 68077-26-9
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
• Purity: >98.0%(T)(HPLC)
• MDL Number: MFCD00792459

• IUPAC Name: 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C12H9ClFNO3/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15/h3-5H,2H2,1H3,(H,17,18)
• InChI Key: WNNSMMJBBOPPOT-UHFFFAOYSA-N
• Isomeric SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O
• Reaxys Registry Number: 413730

• Molecular Formula: C12H9ClFNO3
• Molecular Weight: 269.66
• Melting Point: 284 °C
• Appearance: White to orange to green powder to crystal

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 269.0254990 g/mol
• Monoisotopic Mass: 269.0254990 g/mol
• Topological Polar Surface Area: 57.6Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 412

• HS Number: 2933.49.7000