5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-one
5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | 8013-1120 |
| Compound Name: | 5-hydroxy-7-[3-(trifluoromethyl)phenyl]-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 312.26 |
| Molecular Formula: | C14 H7 F3 O3 S |
| Smiles: | c1cc(cc(c1)C(F)(F)F)c1cc(cc2c1OC(=O)S2)O |
| Stereo: | ACHIRAL |
| logP: | 4.2366 |
| logD: | 4.2324 |
| logSw: | -4.6007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.34 |
| InChI Key: | MAZUARICFKHPRH-UHFFFAOYSA-N |