6-ethoxy-1,3-dinitrodibenzo[b,f]oxepine
Chemical Structure Depiction of
6-ethoxy-1,3-dinitrodibenzo[b,f]oxepine
6-ethoxy-1,3-dinitrodibenzo[b,f]oxepine
Compound characteristics
| Compound ID: | 8009-8648 |
| Compound Name: | 6-ethoxy-1,3-dinitrodibenzo[b,f]oxepine |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C16 H12 N2 O6 |
| Smiles: | CCOc1cccc2C=Cc3c(cc(cc3Oc12)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0889 |
| logD: | 4.0889 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.74 |
| InChI Key: | JQDGZGVLPUPGEK-UHFFFAOYSA-N |