methyl 3-nitro-4-(phenylsulfanyl)benzoate
Chemical Structure Depiction of
methyl 3-nitro-4-(phenylsulfanyl)benzoate
methyl 3-nitro-4-(phenylsulfanyl)benzoate
Compound characteristics
| Compound ID: | K780-0312 |
| Compound Name: | methyl 3-nitro-4-(phenylsulfanyl)benzoate |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C14 H11 N O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3282 |
| logD: | 4.3282 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.221 |
| InChI Key: | STFIAUKBFFALNK-UHFFFAOYSA-N |