4-formyl-2-nitrophenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-formyl-2-nitrophenyl 4-methylbenzene-1-sulfonate
4-formyl-2-nitrophenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0682-0056 |
| Compound Name: | 4-formyl-2-nitrophenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 321.31 |
| Molecular Formula: | C14 H11 N O6 S |
| Smiles: | [H]C(c1ccc(c(c1)[N+]([O-])=O)OS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6068 |
| logD: | 2.6068 |
| logSw: | -3.012 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.326 |
| InChI Key: | RQIFOEPRSNTXPV-UHFFFAOYSA-N |