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

• Catalog: OFC1065093584
• CAS: 1065093-58-4
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010404

• IUPAC Name: 8-chloro-5-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C10H5ClFNO3/c11-5-1-2-6(12)7-8(5)13-3-4(9(7)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
• InChI Key: LZPUCNVZDSVGRQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1F)C(=O)C(=CN2)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