methyl [2,4-dinitro-6-(phenylmethanesulfinyl)phenyl]acetate
Chemical Structure Depiction of
methyl [2,4-dinitro-6-(phenylmethanesulfinyl)phenyl]acetate
methyl [2,4-dinitro-6-(phenylmethanesulfinyl)phenyl]acetate
Compound characteristics
| Compound ID: | 8009-9620 |
| Compound Name: | methyl [2,4-dinitro-6-(phenylmethanesulfinyl)phenyl]acetate |
| Molecular Weight: | 378.36 |
| Molecular Formula: | C16 H14 N2 O7 S |
| Smiles: | COC(Cc1c(cc(cc1S(Cc1ccccc1)=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4685 |
| logD: | 2.4685 |
| logSw: | -2.7487 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.42 |
| InChI Key: | AEIBXFDXJMNBNM-UHFFFAOYSA-N |