7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
Chemical Structure Depiction of
7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | D037-0411 |
| Compound Name: | 7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C21 H13 Br O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccc(cc2)[Br])c2c(c1)SC(=O)O2)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4361 |
| logD: | 5.4361 |
| logSw: | -5.8712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | AAGRTEPPFLCNIY-UHFFFAOYSA-N |