4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
Chemical Structure Depiction of
4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 0668-0250 |
| Compound Name: | 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acetate |
| Molecular Weight: | 326.26 |
| Molecular Formula: | C16 H10 N2 O6 |
| Smiles: | CC(=O)Oc1ccc(cc1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1051 |
| logD: | 1.1051 |
| logSw: | -2.1921 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.712 |
| InChI Key: | ZZTNZPJPJMFVIH-UHFFFAOYSA-N |