2-[Bromo(difluoro)methyl]-5-(trifluoromethoxy)-1H-benzimidazole

• Catalog: OFC113638383-2
• CAS: 113638-38-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-(trifluoromethoxy)-2-(trifluoromethyl)-1H-1,3-benzodiazole
• MDL Number: MFCD31922509

• IUPAC Name: 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H4F6N2O/c10-8(11,12)7-16-5-2-1-4(3-6(5)17-7)18-9(13,14)15/h1-3H,(H,16,17)
• InChI Key: UGZKRKIAKDGVOI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C(F)(F)F

• Molecular Formula: C9H4F6N2O
• Molecular Weight: 331.04

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 270.02278173 g/mol
• Monoisotopic Mass: 270.02278173 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 304