2-(Trifluoromethyl)-4-nitro-1H-benzimidazole

• Catalog: OFC14689511
• CAS: 14689-51-1
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole
• MDL Number: MFCD00796063

• IUPAC Name: 4-nitro-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3H,(H,12,13)
• InChI Key: XHHVZQKTSKYLQH-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)C(F)(F)F

• Molecular Formula: C8H4F3N3O2
• Molecular Weight: 231.13

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 231.02556087 g/mol
• Monoisotopic Mass: 231.02556087 g/mol
• Topological Polar Surface Area: 74.5Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 291