1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate
Chemical Structure Depiction of
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8008-0145 |
| Compound Name: | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate |
| Molecular Weight: | 348.35 |
| Molecular Formula: | C17 H20 N2 O6 |
| Smiles: | CC1(C)C2CCC1(C)C(C2)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7382 |
| logD: | 4.7382 |
| logSw: | -4.3763 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.681 |
| InChI Key: | QOMUVRIFQWSYPD-UHFFFAOYSA-N |