3-Bromo-4-chloro-2-(trifluoromethyl)quinoline

• Catalog: OFC683274524
• CAS: 683274-52-4
• Category: Fluorinated Quinolines
• MDL Number: MFCD03407379

• IUPAC Name: 3-bromo-4-chloro-2-(trifluoromethyl)quinoline
• InChI: InChI=1S/C10H4BrClF3N/c11-7-8(12)5-3-1-2-4-6(5)16-9(7)10(13,14)15/h1-4H
• InChI Key: NIZYLEKJSBTGJS-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C(C(=N2)C(F)(F)F)Br)Cl
• EC Number: 673-059-9

• Molecular Formula: C10H4BrClF3N
• Molecular Weight: 310.50

• XLogP3-AA: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 308.91677 g/mol
• Monoisotopic Mass: 308.91677 g/mol
• Topological Polar Surface Area: 12.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261