2-(4-chlorophenyl)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
2-(4-chlorophenyl)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
2-(4-chlorophenyl)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 2202-0625 |
| Compound Name: | 2-(4-chlorophenyl)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 402.75 |
| Molecular Formula: | C18 H11 Cl N2 O7 |
| Smiles: | C(C(=O)OCC(c1ccc(cc1)[Cl])=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6756 |
| logD: | 1.6756 |
| logSw: | -3.3605 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.353 |
| InChI Key: | KLMIKWRBPAOHDV-UHFFFAOYSA-N |