2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 4-methylbenzene-1-sulfonate
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V009-9796 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 410.4 |
| Molecular Formula: | C20 H14 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1c1nc2ccccc2o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8309 |
| logD: | 4.8309 |
| logSw: | -4.7638 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.278 |
| InChI Key: | PXMLDMCEMZVXIS-UHFFFAOYSA-N |