3-ethoxy-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-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
3-ethoxy-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: | 1398-8485 |
| Compound Name: | 3-ethoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene |
| Molecular Weight: | 335.57 |
| Molecular Formula: | C12 H9 Cl3 N2 O3 |
| Smiles: | CCOc1ccc2c(c1)/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.6152 |
| logD: | 1.6613 |
| logSw: | -4.7033 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.852 |
| InChI Key: | BDWZKZLRIUWYJC-UHFFFAOYSA-N |