2-methoxy-4-{[(4-nitrobenzoyl)oxy]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-{[(4-nitrobenzoyl)oxy]methyl}phenyl 4-nitrobenzoate
2-methoxy-4-{[(4-nitrobenzoyl)oxy]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 3257-0407 |
| Compound Name: | 2-methoxy-4-{[(4-nitrobenzoyl)oxy]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 452.38 |
| Molecular Formula: | C22 H16 N2 O9 |
| Smiles: | COc1cc(COC(c2ccc(cc2)[N+]([O-])=O)=O)ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8016 |
| logD: | 4.8016 |
| logSw: | -5.0386 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 115.954 |
| InChI Key: | WLLQNCJSRUIORO-UHFFFAOYSA-N |