3-Bromo-6-(trifluoromethyl)quinolin-4-ol

• Catalog: OFC1065087844-1
• CAS: 1065087-84-4
• Category: Fluorinated Quinolines
• Synonyms: 3-Bromo-4-hydroxy-6-trifluoromethylquinoline
• Purity: >95%
• MDL Number: MFCD13192876

• IUPAC Name: 3-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
• InChI: InChI=1S/C10H5BrF3NO/c11-7-4-15-8-2-1-5(10(12,13)14)3-6(8)9(7)16/h1-4H,(H,15,16)
• InChI Key: PBWDPZFUWZPUKK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)Br
• EC Number: 802-571-9

• Molecular Formula: C10H5BrF3NO
• Molecular Weight: 292.05

• XLogP3-AA: 3.3
• 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