4-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Chemical Structure Depiction of
4-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
4-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | 3541-0559 |
| Compound Name: | 4-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate |
| Molecular Weight: | 491.74 |
| Molecular Formula: | C21 H12 Br Cl O5 S |
| Smiles: | C(C(=O)Oc1ccc2c(c1c1ccc(cc1)[Br])SC(=O)O2)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6061 |
| logD: | 5.6061 |
| logSw: | -6.3773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.408 |
| InChI Key: | PEQUYXHTUFTOTI-UHFFFAOYSA-N |