Ethyl 6-bromo-4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate

• Catalog: OFC1065102422
• CAS: 1065102-42-2
• Category: Fluorinated Quinolines
• Synonyms: ethyl 6-bromo-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
• MDL Number: MFCD28010442

• IUPAC Name: ethyl 6-bromo-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C13H9BrF3NO3/c1-2-21-12(20)7-5-18-10-4-8(13(15,16)17)9(14)3-6(10)11(7)19/h3-5H,2H2,1H3,(H,18,19)
• InChI Key: KTDFIBMJPMCMPK-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)Br)C(F)(F)F

• Molecular Formula: C13H9BrF3NO3
• Molecular Weight: 364.11

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 362.97179 g/mol
• Monoisotopic Mass: 362.97179 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 478