4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}benzene-1,2-dicarboxylic acid
Chemical Structure Depiction of
4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}benzene-1,2-dicarboxylic acid
4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}benzene-1,2-dicarboxylic acid
Compound characteristics
| Compound ID: | 8002-7472 |
| Compound Name: | 4-{4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenoxy}benzene-1,2-dicarboxylic acid |
| Molecular Weight: | 552.45 |
| Molecular Formula: | C29 H16 N2 O10 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)Oc1ccc(C(O)=O)c(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1747 |
| logD: | 0.9664 |
| logSw: | -5.1175 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.292 |
| InChI Key: | UTGWFUSSCONHOU-UHFFFAOYSA-N |