4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid
Chemical Structure Depiction of
4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid
4-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]benzoic acid
Compound characteristics
| Compound ID: | 2036-1525 |
| Compound Name: | 4-[4-(5-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: | c1cc(ccc1C(O)=O)Oc1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2546 |
| logD: | 1.7371 |
| logSw: | -4.3645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.417 |
| InChI Key: | RXSQHVAGFGGZQG-UHFFFAOYSA-N |