4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl 3,5-dinitrobenzoate
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8006-2902 |
| Compound Name: | 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 383.27 |
| Molecular Formula: | C17 H9 N3 O8 |
| Smiles: | C1=CC(N(C1=O)c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9288 |
| logD: | 1.9287 |
| logSw: | -2.5246 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.848 |
| InChI Key: | VQGRIADYMADNBL-UHFFFAOYSA-N |