7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
Chemical Structure Depiction of
7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0412 |
| Compound Name: | 7-(4-bromophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate |
| Molecular Weight: | 475.29 |
| Molecular Formula: | C21 H12 Br F O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccc(cc2)[Br])c2c(c1)SC(=O)O2)Oc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.4937 |
| logD: | 5.4937 |
| logSw: | -5.8657 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | QWYLOWKZCMQEEE-UHFFFAOYSA-N |