6-nitro-3-(4-nitrophenoxy)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
6-nitro-3-(4-nitrophenoxy)-1H-1lambda~6~,2-benzothiazole-1,1-dione
6-nitro-3-(4-nitrophenoxy)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8001-7965 |
| Compound Name: | 6-nitro-3-(4-nitrophenoxy)-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 349.28 |
| Molecular Formula: | C13 H7 N3 O7 S |
| Smiles: | c1cc(ccc1[N+]([O-])=O)OC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4619 |
| logD: | 2.4619 |
| logSw: | -2.8538 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 114.899 |
| InChI Key: | FWLZPRQMTSFWRE-UHFFFAOYSA-N |