2,2,2-trinitroethyl 1-(4,4,4-trinitrobutanoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
2,2,2-trinitroethyl 1-(4,4,4-trinitrobutanoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
2,2,2-trinitroethyl 1-(4,4,4-trinitrobutanoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8010-6872 |
| Compound Name: | 2,2,2-trinitroethyl 1-(4,4,4-trinitrobutanoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 482.23 |
| Molecular Formula: | C10 H10 N8 O15 |
| Smiles: | C1CN(C(CCC([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O)=O)N=C1C(=O)OCC([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -3.3358 |
| logD: | -3.3358 |
| logSw: | -0.3165 |
| Hydrogen bond acceptors count: | 30 |
| Polar surface area: | 258.223 |
| InChI Key: | AGEBEIGNQILWFI-UHFFFAOYSA-N |