7-methoxy-1,3-dinitrodibenzo[b,f]oxepine
Chemical Structure Depiction of
7-methoxy-1,3-dinitrodibenzo[b,f]oxepine
7-methoxy-1,3-dinitrodibenzo[b,f]oxepine
Compound characteristics
| Compound ID: | 8009-3820 |
| Compound Name: | 7-methoxy-1,3-dinitrodibenzo[b,f]oxepine |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C15 H10 N2 O6 |
| Smiles: | COc1ccc2C=Cc3c(cc(cc3Oc2c1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9229 |
| logD: | 3.9229 |
| logSw: | -4.2671 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.389 |
| InChI Key: | ANFMRSLJKKTEMW-UHFFFAOYSA-N |