2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Chemical Structure Depiction of
2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 5408-1916 |
| Compound Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate |
| Molecular Weight: | 317.27 |
| Molecular Formula: | C14 H7 N O6 S |
| Smiles: | c1cc(ccc1C(=O)Oc1ccc2c(c1)SC(=O)O2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9579 |
| logD: | 2.9579 |
| logSw: | -3.5596 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.07 |
| InChI Key: | GEEOLKWKBRNEQP-UHFFFAOYSA-N |