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

• Catalog: OFC1353778489
• CAS: 1353778-48-9
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD31922506

• IUPAC Name: 2-[bromo(difluoro)methyl]-4-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H4BrF5N2/c10-8(11,12)7-16-5-3-1-2-4(6(5)17-7)9(13,14)15/h1-3H,(H,16,17)
• InChI Key: FNDVSYZTWOCDPB-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1)NC(=N2)C(F)(F)Br)C(F)(F)F

• Molecular Formula: C9H4BrF5N2
• Molecular Weight: 315.04

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 313.94780 g/mol
• Monoisotopic Mass: 313.94780 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 296