2-(2H-1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
2-(2H-1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | R052-1024 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 404.33 |
| Molecular Formula: | C21 H12 N2 O7 |
| Smiles: | C1Oc2ccc(cc2O1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4162 |
| logD: | 4.4162 |
| logSw: | -4.5293 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.125 |
| InChI Key: | RXMXNPAVQCBPMG-UHFFFAOYSA-N |