5-Chloro-8-fluoro-4-hydroxyquinoline-3-carboxylic acid

• Catalog: OFC1019015758
• CAS: 1019015-75-8
• Category: Fluorinated Quinolines
• MDL Number: MFCD09861317

• IUPAC Name: 5-chloro-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5ClFNO3/c11-5-1-2-6(12)8-7(5)9(14)4(3-13-8)10(15)16/h1-3H,(H,13,14)(H,15,16)
• InChI Key: BRHCWUJJVACYJF-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1F)NC=C(C2=O)C(=O)O)Cl

• Molecular Formula: C10H5ClFNO3
• Molecular Weight: 241.60

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 240.9941989 g/mol
• Monoisotopic Mass: 240.9941989 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 371