3-(4-chloro-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4-chloro-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4-chloro-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-6242 |
| Compound Name: | 3-(4-chloro-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 382.74 |
| Molecular Formula: | C13 H7 Cl N4 O6 S |
| Smiles: | c1cc2C(Nc3ccc(cc3[N+]([O-])=O)[Cl])=NS(c2cc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1264 |
| logD: | -0.705 |
| logSw: | -3.8494 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.609 |
| InChI Key: | QMQDPKDZZNQQHL-UHFFFAOYSA-N |