2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3(2H)-one
2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | 8009-1605 |
| Compound Name: | 2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 396.17 |
| Molecular Formula: | C13 H6 Br N3 O5 S |
| Smiles: | c1cc(ccc1N1C(c2c(cc(cc2S1)[N+]([O-])=O)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8983 |
| logD: | 3.8983 |
| logSw: | -4.3741 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.038 |
| InChI Key: | RBEISICSVBFJOH-UHFFFAOYSA-N |