8-Chloro-4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid

• Catalog: OFC1065093744
• CAS: 1065093-74-4
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010412

• IUPAC Name: 8-chloro-4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H5ClF3NO3/c12-7-2-4(11(13,14)15)1-5-8(7)16-3-6(9(5)17)10(18)19/h1-3H,(H,16,17)(H,18,19)
• InChI Key: PTPFJFZSLKEHDE-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1C(=O)C(=CN2)C(=O)O)Cl)C(F)(F)F

• Molecular Formula: C11H5ClF3NO3
• Molecular Weight: 291.61

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 290.9910052 g/mol
• Monoisotopic Mass: 290.9910052 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 449