Ethyl 5-chloro-4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

• Catalog: OFC1065102353
• CAS: 1065102-35-3
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010439

• IUPAC Name: ethyl 5-chloro-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C13H9ClF3NO3/c1-2-21-12(20)6-5-18-10-7(13(15,16)17)3-4-8(14)9(10)11(6)19/h3-5H,2H2,1H3,(H,18,19)
• InChI Key: PDLBOHVIPJQJKJ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=C(C=CC(=C2C1=O)Cl)C(F)(F)F

• Molecular Formula: C13H9ClF3NO3
• Molecular Weight: 319.66

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 319.0223053 g/mol
• Monoisotopic Mass: 319.0223053 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 478