4-(methylsulfanyl)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
4-(methylsulfanyl)phenyl 2,4-dinitrobenzoate
4-(methylsulfanyl)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 0257-0016 |
| Compound Name: | 4-(methylsulfanyl)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 334.3 |
| Molecular Formula: | C14 H10 N2 O6 S |
| Smiles: | CSc1ccc(cc1)OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8985 |
| logD: | 3.8985 |
| logSw: | -4.1489 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.078 |
| InChI Key: | XXDCRCFDUZYGCR-UHFFFAOYSA-N |