6-Chloro-4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid

• Catalog: OFC1065093959
• CAS: 1065093-95-9
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010421

• IUPAC Name: 6-chloro-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H5ClF3NO3/c12-7-1-4-8(2-6(7)11(13,14)15)16-3-5(9(4)17)10(18)19/h1-3H,(H,16,17)(H,18,19)
• InChI Key: WWLXZTHLTGRZKF-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Cl)C(F)(F)F)NC=C(C2=O)C(=O)O

• 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