3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium
Also Known As: phenylnitrofuroxan|3-nitro-4-phenyl-furazan 2-oxide|3-Nitro-4-phenyl-furazan-2-oxide|3-nitro-4-phenyl-1,2,5-oxadiazole 2-oxide|3-nitro-4-phenyl-1,2,5-oxadiazol-2-ol|3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium|3-nitro-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate|3-Nitro-2-oxo-4-phenyl-1,2lambda~5~,5-oxadiazole
CAS: 76016-69-8
| Molecular Formula | C8H5N3O4 |
|---|---|
| Molecular Weight | 207.028 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.028 |
| Monoisotopic Mass | 207.028 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 76016-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NO[N+](=C2[N+](=O)[O-])[O-] |
| InChIKey | YCYGCMHATNZXJZ-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide (CAS 76016-69-8), with molecular formula C8H5N3O4 and molecular weight 207.028 g/mol. IUPAC: 3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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