3-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate
Chemical Structure Depiction of
3-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate
3-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate
Compound characteristics
| Compound ID: | 8005-5815 |
| Compound Name: | 3-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate |
| Molecular Weight: | 198.09 |
| Molecular Formula: | C4 H2 N6 O4 |
| Smiles: | c1c(c(n[nH]1)[n+]1nc([O-])on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.6214 |
| logD: | -0.6218 |
| logSw: | -1.3129 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.152 |
| InChI Key: | UTTPOWVSVFFJQV-UHFFFAOYSA-N |