4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3(2H)-one
4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | 8009-3686 |
| Compound Name: | 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 401.27 |
| Molecular Formula: | C14 H6 F3 N3 O6 S |
| Smiles: | c1cc(ccc1N1C(c2c(cc(cc2S1)[N+]([O-])=O)[N+]([O-])=O)=O)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2556 |
| logD: | 4.2556 |
| logSw: | -4.7557 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.975 |
| InChI Key: | HXZYMMIJVCBLCL-UHFFFAOYSA-N |