4-[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid
Chemical Structure Depiction of
4-[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid
4-[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid
Compound characteristics
| Compound ID: | 3226-0765 |
| Compound Name: | 4-[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid |
| Molecular Weight: | 404.33 |
| Molecular Formula: | C21 H12 N2 O7 |
| Smiles: | c1cc2C(N(C(c2c(c1)[N+]([O-])=O)=O)c1ccc(cc1)Oc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1927 |
| logD: | 0.6752 |
| logSw: | -3.6538 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.116 |
| InChI Key: | GHQRQHAJLXQLGB-UHFFFAOYSA-N |