5-Bromo-4-fluoro -2-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC2089972256
• CAS: 2089972-25-6
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154940

• IUPAC Name: 5-bromo-4-fluoro-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H3BrF4N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)
• InChI Key: KUKOADUDPVLDPU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C2=C1NC(=N2)C(F)(F)F)F)Br

• Molecular Formula: C8H3BrF4N2
• Molecular Weight: 283.02

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 281.94157 g/mol
• Monoisotopic Mass: 281.94157 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 247