6-Chloro-5-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole

• Catalog: OFC6609401
• CAS: 6609-40-1
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-Chloro-6-nitro-2-(trifluoromethyl)benzimidazole
• Purity: 97%

• IUPAC Name: 5-chloro-6-nitro-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H3ClF3N3O2/c9-3-1-4-5(2-6(3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)
• InChI Key: KNWBYYSQLWZITM-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=C(N2)C(F)(F)F

• Molecular Formula: C8H3ClF3N3O2
• Molecular Weight: 265.58

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 264.9865885 g/mol
• Monoisotopic Mass: 264.9865885 g/mol
• Topological Polar Surface Area: 74.5Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 322