2-[(2,4-dinitrophenyl)methyl]-6-methyl-1H-benzimidazole

Base Information

• Chemical Name: 2-[(2,4-dinitrophenyl)methyl]-6-methyl-1H-benzimidazole
• CAS No.: 60059-87-2
• Molecular Formula: C15H12N4O4
• Molecular Weight: 312.28000
• DSSTox Substance ID: DTXSID00365020
• Wikidata: Q82149349
• Mol file: 60059-87-2.mol

Synonyms:60059-87-2;2-[(2,4-dinitrophenyl)methyl]-6-methyl-1H-benzimidazole;2-{2,4-Bisnitrobenzyl};Oprea1_007435;2-{2,4-bisnitrobenzyl}-5-methyl-1H-benzimidazole;DTXSID00365020;AG-690/33081036

Chemical Property of 2-[(2,4-dinitrophenyl)methyl]-6-methyl-1H-benzimidazole

Chemical Property:

• PSA: 120.32000
• LogP: 4.32490
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 312.08585488
• Heavy Atom Count: 23
• Complexity: 463

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(N2)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]