Ethyl 5,7-bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylate

• Catalog: OFC93514831
• CAS: 93514-83-1
• Category: Fluorinated Quinolines
• Synonyms: 5,7-Bis(trifluoromethyl)-3-(ethoxycarbonyl)-4-hydroxyquinoline; 5,7-Bis(trifluoromethyl)-3-(ethoxycarbonyl)-4-hydroxy-1-azanaphthalene
• MDL Number: MFCD00269340

• IUPAC Name: ethyl 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C14H9F6NO3/c1-2-24-12(23)7-5-21-9-4-6(13(15,16)17)3-8(14(18,19)20)10(9)11(7)22/h3-5H,2H2,1H3,(H,21,22)
• InChI Key: JQOVUCWBEJXIOS-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=CC(=CC(=C2C1=O)C(F)(F)F)C(F)(F)F

• Molecular Formula: C14H9F6NO3
• Molecular Weight: 353.22

• XLogP3-AA: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 353.04866212 g/mol
• Monoisotopic Mass: 353.04866212 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 554