5-Nitro-2-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC327195
• CAS: 327-19-5
• Category: Fluorinated Benzimidazoles
• Synonyms: 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole
• MDL Number: MFCD00458655

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

• Molecular Formula: C8H4F3N3O2
• Molecular Weight: 231.13
• Melting Point: 154-156 °C

• 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