2-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-2-ium-5-olate
Chemical Structure Depiction of
2-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-2-ium-5-olate
2-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-2-ium-5-olate
Compound characteristics
| Compound ID: | 8018-0020 |
| Compound Name: | 2-(4-nitro-1H-pyrazol-3-yl)-1,2,3,4-oxatriazol-2-ium-5-olate |
| Molecular Weight: | 198.09 |
| Molecular Formula: | C4 H2 N6 O4 |
| Smiles: | c1c(c(n[nH]1)[n+]1nnc([O-])o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.7696 |
| logD: | -0.7699 |
| logSw: | -1.3009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.135 |
| InChI Key: | ZABABSFYBBMHSZ-UHFFFAOYSA-O |