3-methylbutyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
3-methylbutyl 2,4-dinitrobenzoate
3-methylbutyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 8004-1689 |
| Compound Name: | 3-methylbutyl 2,4-dinitrobenzoate |
| Molecular Weight: | 282.25 |
| Molecular Formula: | C12 H14 N2 O6 |
| Smiles: | CC(C)CCOC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5308 |
| logD: | 3.5308 |
| logSw: | -3.8601 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.748 |
| InChI Key: | UWSMHJYAPCHHAX-UHFFFAOYSA-N |