methyl 4-(4-methylbenzene-1-sulfonyl)-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-(4-methylbenzene-1-sulfonyl)-3-nitrobenzoate
methyl 4-(4-methylbenzene-1-sulfonyl)-3-nitrobenzoate
Compound characteristics
| Compound ID: | K783-4830 |
| Compound Name: | methyl 4-(4-methylbenzene-1-sulfonyl)-3-nitrobenzoate |
| Molecular Weight: | 335.33 |
| Molecular Formula: | C15 H13 N O6 S |
| Smiles: | Cc1ccc(cc1)S(c1ccc(cc1[N+]([O-])=O)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4586 |
| logD: | 3.4586 |
| logSw: | -4.0043 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.994 |
| InChI Key: | AMEPIXUADUTMFD-UHFFFAOYSA-N |