6-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline

• Catalog: OFC1701220
• CAS: 1701-22-0
• Category: Fluorinated Quinolines
• Synonyms: 6-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
• Purity: >95%
• MDL Number: MFCD00153078

• IUPAC Name: 6-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
• InChI: InChI=1S/C10H5BrF3NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)
• InChI Key: HIBGBUAHZUWVNW-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1Br)C(=O)C=C(N2)C(F)(F)F

• Molecular Formula: C10H5BrF3NO
• Molecular Weight: 292.05
• Melting Point: >290 °C

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 290.95066 g/mol
• Monoisotopic Mass: 290.95066 g/mol
• Topological Polar Surface Area: 29.1Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 339