2-(4-hydroxybutyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-hydroxybutyl)-4-nitro-1H-isoindole-1,3(2H)-dione
2-(4-hydroxybutyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2999-1719 |
| Compound Name: | 2-(4-hydroxybutyl)-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 264.23 |
| Molecular Formula: | C12 H12 N2 O5 |
| Smiles: | C(CCO)CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0585 |
| logD: | -0.0585 |
| logSw: | -2.2704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.477 |
| InChI Key: | LVIFXEBGKQHMOJ-UHFFFAOYSA-N |