6-(2-chloro-4-nitrophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
Chemical Structure Depiction of
6-(2-chloro-4-nitrophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
6-(2-chloro-4-nitrophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
Compound characteristics
| Compound ID: | 8013-0312 |
| Compound Name: | 6-(2-chloro-4-nitrophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate |
| Molecular Weight: | 427.82 |
| Molecular Formula: | C20 H10 Cl N O6 S |
| Smiles: | c1ccc(cc1)C(=O)Oc1cc2c(cc1c1ccc(cc1[Cl])[N+]([O-])=O)OC(=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 5.5577 |
| logD: | 5.5577 |
| logSw: | -6.0654 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.885 |
| InChI Key: | PSUHTARNVDTCLC-UHFFFAOYSA-N |