4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
Chemical Structure Depiction of
4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
Compound characteristics
| Compound ID: | 3289-4003 |
| Compound Name: | 4-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid |
| Molecular Weight: | 404.33 |
| Molecular Formula: | C21 H12 N2 O7 |
| Smiles: | c1cc(ccc1C(O)=O)Oc1ccc2C(N(C(c2c1)=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3085 |
| logD: | 1.791 |
| logSw: | -4.3962 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.417 |
| InChI Key: | XKKIVARYZMQYCO-UHFFFAOYSA-N |