2-[Bromo(difluoro)methyl]-4-(trifluoromethoxy)-1H-benzimidazole

• Catalog: OFC2366994285
• CAS: 2366994-28-5
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD31922508

• IUPAC Name: 2-[bromo(difluoro)methyl]-4-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C9H4BrF5N2O/c10-8(11,12)7-16-4-2-1-3-5(6(4)17-7)18-9(13,14)15/h1-3H,(H,16,17)
• InChI Key: YCXLYTGTNRZGEL-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1)OC(F)(F)F)N=C(N2)C(F)(F)Br

• Molecular Formula: C9H4BrF5N2O
• Molecular Weight: 331.04

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 329.94272 g/mol
• Monoisotopic Mass: 329.94272 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 314