2-Ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-1H-benzo[d]imidazole

• Catalog: OFC55702448
• CAS: 55702-44-8
• Category: Fluorinated Benzimidazoles
• Purity: 97%

• IUPAC Name: 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C13H14F3N3O2/c1-3-5-18-11(4-2)17-9-6-8(13(14,15)16)7-10(12(9)18)19(20)21/h6-7H,3-5H2,1-2H3
• InChI Key: NBCHQZJRNHOSCM-UHFFFAOYSA-N
• Isomeric SMILES: CCCN1C(=NC2=C1C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])CC

• Molecular Formula: C13H14F3N3O2
• Molecular Weight: 301.26

• XLogP3-AA: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 301.10381118 g/mol
• Monoisotopic Mass: 301.10381118 g/mol
• Topological Polar Surface Area: 63.6Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 386