8-chloro-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
8-chloro-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
8-chloro-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8012-8805 |
| Compound Name: | 8-chloro-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 335.66 |
| Molecular Formula: | C13 H6 Cl N3 O6 |
| Smiles: | c1cc2c(cc1[Cl])NC(c1c(cc(cc1O2)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2678 |
| logD: | 0.3947 |
| logSw: | -4.4727 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.802 |
| InChI Key: | DTNSBEHTNAGKQO-UHFFFAOYSA-N |