5-Bromo-6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC185412479
• CAS: 185412-47-9
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154962

• IUPAC Name: 6-bromo-5-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H3BrF6N2O/c10-3-1-4-5(2-6(3)19-9(14,15)16)18-7(17-4)8(11,12)13/h1-2H,(H,17,18)
• InChI Key: ILHYDFJVGHWRIE-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Br)OC(F)(F)F)N=C(N2)C(F)(F)F

• Molecular Formula: C9H3BrF6N2O
• Molecular Weight: 349.03

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 347.93329 g/mol
• Monoisotopic Mass: 347.93329 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 336