4-[5-(2,4-dinitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[5-(2,4-dinitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
4-[5-(2,4-dinitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 1021-0742 |
| Compound Name: | 4-[5-(2,4-dinitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 449.33 |
| Molecular Formula: | C21 H11 N3 O9 |
| Smiles: | c1cc(ccc1C(O)=O)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7215 |
| logD: | 1.3262 |
| logSw: | -4.0917 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 130.585 |
| InChI Key: | NRTXKDBTMLYKTP-UHFFFAOYSA-N |