3-(4-Nitrophenyl)isoxazol-5(4H)-one
3-(4-nitrophenyl)-4H-1,2-oxazol-5-one
Also Known As: 3-(4-Nitrophenyl)isoxazol-5(4H)-one|3-(4-Nitrophenyl)-5(4H)-isoxazolone|3- -5 -ISOXAZOLONE|3-(4-nitrophenyl)-4H-1,2-oxazol-5-one|3-(p-Nitrophenyl)-5(4H)-isoxazolone|3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-one|3-(4-Nitrophenyl)-5(4H)-isoxazolone #|4,5-Dihydro-3-(p-nitrophenyl)-5-oxoisoxazole
CAS: 39214-83-0
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03276 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03276 |
| Monoisotopic Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 39214-83-0 |
|---|---|
| SMILES | C1C(=NOC1=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UTKOPDOTGHMSBL-UHFFFAOYSA-N |
Product Overview
3-(4-Nitrophenyl)isoxazol-5(4H)-one (CAS 39214-83-0), with molecular formula C9H6N2O4 and molecular weight 206.03276 g/mol. IUPAC: 3-(4-nitrophenyl)-4H-1,2-oxazol-5-one.
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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