4-(heptyloxy)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
4-(heptyloxy)phenyl 2,4-dinitrobenzoate
4-(heptyloxy)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 000L-1690 |
| Compound Name: | 4-(heptyloxy)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C20 H22 N2 O7 |
| Smiles: | CCCCCCCOc1ccc(cc1)OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1535 |
| logD: | 6.1535 |
| logSw: | -5.4171 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.496 |
| InChI Key: | DSXLBLZPGUYBRQ-UHFFFAOYSA-N |