methyl 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzoate
methyl 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K783-4850 |
| Compound Name: | methyl 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 323.75 |
| Molecular Formula: | C14 H10 Cl N O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.108 |
| logD: | 5.108 |
| logSw: | -5.6275 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.221 |
| InChI Key: | QLAPJCUFVLSUJK-UHFFFAOYSA-N |