methyl 2-[(4-chloro-2-nitrophenyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 2-[(4-chloro-2-nitrophenyl)sulfanyl]benzoate
methyl 2-[(4-chloro-2-nitrophenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 8018-9290 |
| Compound Name: | methyl 2-[(4-chloro-2-nitrophenyl)sulfanyl]benzoate |
| Molecular Weight: | 323.75 |
| Molecular Formula: | C14 H10 Cl N O4 S |
| Smiles: | COC(c1ccccc1Sc1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8418 |
| logD: | 4.8418 |
| logSw: | -4.9173 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.221 |
| InChI Key: | BLMSDYLLYNMPHJ-UHFFFAOYSA-N |