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

• Catalog: OFC1019015838
• CAS: 1019015-83-8
• Category: Fluorinated Quinolines
• MDL Number: MFCD09861318

• IUPAC Name: 6-chloro-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5ClFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
• InChI Key: PSZHJVNXLIEBKD-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1C(=O)C(=CN2)C(=O)O)F)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