4-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
4-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
4-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | Y070-0029 |
| Compound Name: | 4-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 323.16 |
| Molecular Formula: | C13 H7 Br O3 S |
| Smiles: | c1cc(ccc1c1c(ccc2c1SC(=O)O2)O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3851 |
| logD: | 4.3837 |
| logSw: | -4.5171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.587 |
| InChI Key: | WTOWHTGNKWZOIK-UHFFFAOYSA-N |