2-oxo-2H-1,3-benzoxathiol-5-yl 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of
2-oxo-2H-1,3-benzoxathiol-5-yl 4-chloro-3-nitrobenzoate
2-oxo-2H-1,3-benzoxathiol-5-yl 4-chloro-3-nitrobenzoate
Compound characteristics
| Compound ID: | D048-0172 |
| Compound Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl 4-chloro-3-nitrobenzoate |
| Molecular Weight: | 351.72 |
| Molecular Formula: | C14 H6 Cl N O6 S |
| Smiles: | c1cc(c(cc1C(=O)Oc1ccc2c(c1)SC(=O)O2)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1271 |
| logD: | 3.1271 |
| logSw: | -3.7908 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.769 |
| InChI Key: | UZPMUWWHQHBDEK-UHFFFAOYSA-N |