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 |