8-Fluoro-4-hydroxy-5-(trifluoromethyl)quinoline-3-carboxylic acid

• Catalog: OFC1065093904
• CAS: 1065093-90-4
• Category: Fluorinated Quinolines
• Synonyms: 8-fluoro-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
• MDL Number: MFCD28010418

• IUPAC Name: 8-fluoro-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H5F4NO3/c12-6-2-1-5(11(13,14)15)7-8(6)16-3-4(9(7)17)10(18)19/h1-3H,(H,16,17)(H,18,19)
• InChI Key: SJCXUNCVYAFXFD-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O)F

• Molecular Formula: C11H5F4NO3
• Molecular Weight: 275.16

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 275.02055567 g/mol
• Monoisotopic Mass: 275.02055567 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 446