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

• Catalog: OFC61680113
• CAS: 61680-11-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 1-Methyl-5-nitro-2-(propan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
• Purity: 97%

• IUPAC Name: 1-methyl-5-nitro-2-propan-2-yl-6-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C12H12F3N3O2/c1-6(2)11-16-8-5-9(18(19)20)7(12(13,14)15)4-10(8)17(11)3/h4-6H,1-3H3
• InChI Key: DFMYWMPMPGYTDI-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)C1=NC2=C(N1C)C=C(C(=C2)[N+](=O)[O-])C(F)(F)F

• Molecular Formula: C12H12F3N3O2
• Molecular Weight: 287.24

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 287.08816112 g/mol
• Monoisotopic Mass: 287.08816112 g/mol
• Topological Polar Surface Area: 63.6Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 383