Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

• Catalog: OFC26893129
• CAS: 26893-12-9
• Category: Fluorinated Quinolines
• Synonyms: 3-(Ethoxycarbonyl)-6-(trifluoromethyl)quinolin-4-ol; 3-(Ethoxycarbonyl)-4-hydroxy-6-(trifluoromethyl)quinoline
• MDL Number: MFCD00173369

• IUPAC Name: ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-4-3-7(13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)
• InChI Key: SPGPSFWOMJQSDF-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(F)(F)F
• EC Number: 817-060-6

• Molecular Formula: C13H10F3NO3
• Molecular Weight: 285.22
• Melting Point: 336 °C(dec.)

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 285.06127767 g/mol
• Monoisotopic Mass: 285.06127767 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 445