3-(4-nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
Chemical Structure Depiction of
3-(4-nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
3-(4-nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
Compound characteristics
| Compound ID: | 8005-5811 |
| Compound Name: | 3-(4-nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate |
| Molecular Weight: | 208.13 |
| Molecular Formula: | C7 H4 N4 O4 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)[n+]1nc([O-])on1 |
| Stereo: | ACHIRAL |
| logP: | 0.5998 |
| logD: | 0.5998 |
| logSw: | -1.3558 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.829 |
| InChI Key: | NSGMWYNFZUDTDC-UHFFFAOYSA-N |