2-(4-nitrophenyl)-2H,4H-3,1-benzoxathiin-4-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-2H,4H-3,1-benzoxathiin-4-one
2-(4-nitrophenyl)-2H,4H-3,1-benzoxathiin-4-one
Compound characteristics
| Compound ID: | 8011-0071 |
| Compound Name: | 2-(4-nitrophenyl)-2H,4H-3,1-benzoxathiin-4-one |
| Molecular Weight: | 287.29 |
| Molecular Formula: | C14 H9 N O4 S |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1ccc(cc1)[N+]([O-])=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.418 |
| logD: | 3.418 |
| logSw: | -3.9529 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.647 |
| InChI Key: | JGPYSTGKMNQEJQ-AWEZNQCLSA-N |