2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0015 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C21 H13 Br O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2)Oc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.3596 |
| logD: | 5.3596 |
| logSw: | -5.782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | ABLPVCXSNFPIBJ-UHFFFAOYSA-N |