2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl acetate
Chemical Structure Depiction of
2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl acetate
2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl acetate
Compound characteristics
| Compound ID: | 0812-1043 |
| Compound Name: | 2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl acetate |
| Molecular Weight: | 278.22 |
| Molecular Formula: | C12 H10 N2 O6 |
| Smiles: | CC(=O)OCCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0793 |
| logD: | 1.0793 |
| logSw: | -2.3854 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.272 |
| InChI Key: | SWPURVOSXQNNLH-UHFFFAOYSA-N |