3-benzyl-6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Chemical Structure Depiction of
3-benzyl-6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
3-benzyl-6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Compound characteristics
| Compound ID: | 8010-8357 |
| Compound Name: | 3-benzyl-6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene |
| Molecular Weight: | 381.81 |
| Molecular Formula: | C17 H20 Cl N3 O5 |
| Smiles: | C1C=C(C2(CC1(CN(Cc1ccccc1)C2)[N+]([O-])=O)[N+]([O-])=O)OCC[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0948 |
| logD: | 3.0946 |
| logSw: | -3.0963 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.412 |
| InChI Key: | XLXZSWPVZWFUCK-UHFFFAOYSA-N |