4-butoxy-2,3-dinitrophenyl 4-methylbenzoate
Chemical Structure Depiction of
4-butoxy-2,3-dinitrophenyl 4-methylbenzoate
4-butoxy-2,3-dinitrophenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 1627-0007 |
| Compound Name: | 4-butoxy-2,3-dinitrophenyl 4-methylbenzoate |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C18 H18 N2 O7 |
| Smiles: | CCCCOc1ccc(c(c1[N+]([O-])=O)[N+]([O-])=O)OC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0904 |
| logD: | 5.0904 |
| logSw: | -4.905 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.767 |
| InChI Key: | BUBPWFXWOAVKGW-UHFFFAOYSA-N |