1,3-phenylene bis(2-methyl-3,5-dinitrobenzoate)
Chemical Structure Depiction of
1,3-phenylene bis(2-methyl-3,5-dinitrobenzoate)
1,3-phenylene bis(2-methyl-3,5-dinitrobenzoate)
Compound characteristics
| Compound ID: | 0917-0337 |
| Compound Name: | 1,3-phenylene bis(2-methyl-3,5-dinitrobenzoate) |
| Molecular Weight: | 526.37 |
| Molecular Formula: | C22 H14 N4 O12 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)Oc1cccc(c1)OC(c1cc(cc(c1C)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5993 |
| logD: | 4.5993 |
| logSw: | -4.6123 |
| Hydrogen bond acceptors count: | 22 |
| Polar surface area: | 173.918 |
| InChI Key: | VRWKKBSDSMFZLY-UHFFFAOYSA-N |