2-(4-acetylphenyl)-5-(2,4-dinitrophenoxy)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-acetylphenyl)-5-(2,4-dinitrophenoxy)-1H-isoindole-1,3(2H)-dione
2-(4-acetylphenyl)-5-(2,4-dinitrophenoxy)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1021-0755 |
| Compound Name: | 2-(4-acetylphenyl)-5-(2,4-dinitrophenoxy)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 447.36 |
| Molecular Formula: | C22 H13 N3 O8 |
| Smiles: | CC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4153 |
| logD: | 3.4153 |
| logSw: | -3.9528 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.003 |
| InChI Key: | TVUBGNYRWGSRPT-UHFFFAOYSA-N |