ethyl 4-chloro-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-chloro-3-nitro-1H-pyrazole-5-carboxylate
ethyl 4-chloro-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | K061-1102 |
| Compound Name: | ethyl 4-chloro-3-nitro-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 219.58 |
| Molecular Formula: | C6 H6 Cl N3 O4 |
| Smiles: | CCOC(c1c(c(n[nH]1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3773 |
| logD: | 1.0484 |
| logSw: | -2.6436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.838 |
| InChI Key: | IZEOMSPIIJWRLT-UHFFFAOYSA-N |