5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate)
Chemical Structure Depiction of
5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate)
5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate)
Compound characteristics
| Compound ID: | 8002-5873 |
| Compound Name: | 5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate) |
| Molecular Weight: | 450.4 |
| Molecular Formula: | C23 H18 N2 O8 |
| Smiles: | Cc1cc(cc(c1)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1032 |
| logD: | 5.1032 |
| logSw: | -5.073 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.155 |
| InChI Key: | KDIPOYGWLCHIHN-UHFFFAOYSA-N |