3-methylbutyl 4-(2,4-dinitroanilino)benzoate
Chemical Structure Depiction of
3-methylbutyl 4-(2,4-dinitroanilino)benzoate
3-methylbutyl 4-(2,4-dinitroanilino)benzoate
Compound characteristics
| Compound ID: | 8003-4318 |
| Compound Name: | 3-methylbutyl 4-(2,4-dinitroanilino)benzoate |
| Molecular Weight: | 373.36 |
| Molecular Formula: | C18 H19 N3 O6 |
| Smiles: | CC(C)CCOC(c1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9148 |
| logD: | 5.9148 |
| logSw: | -5.4775 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.963 |
| InChI Key: | YRMXPZZJIJLMTB-UHFFFAOYSA-N |