3-ethoxy-2-nitro-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Chemical Structure Depiction of
3-ethoxy-2-nitro-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
3-ethoxy-2-nitro-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Compound characteristics
| Compound ID: | 8013-3103 |
| Compound Name: | 3-ethoxy-2-nitro-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene |
| Molecular Weight: | 380.57 |
| Molecular Formula: | C12 H8 Cl3 N3 O5 |
| Smiles: | CCOc1ccc2c(\C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4196 |
| logD: | -1.0526 |
| logSw: | -4.959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.718 |
| InChI Key: | PZZKSRRVUISBRV-UHFFFAOYSA-N |