5-Tert-butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-Tert-butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
• CAS No.: 1004398-32-6
• Molecular Formula: C12H13N3O3
• Molecular Weight: 247
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10429263
• Wikidata: Q82242254
• Mol file: 1004398-32-6.mol

Synonyms:1004398-32-6;5-tert-butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole;5-(tert-Butyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole;DTXSID10429263;MFCD02310127;AKOS015838104;BS-19037;A897439

Chemical Property of 5-Tert-butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

Chemical Property:

• PSA: 84.74000
• LogP: 3.46550
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 247.09569129
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

5-(tert-Butyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-]