2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8006-3362 |
| Compound Name: | 2-nitro-4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 449.33 |
| Molecular Formula: | C21 H11 N3 O9 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)Oc1ccc2C(N(C(c2c1)=O)c1ccc(C(O)=O)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0589 |
| logD: | -0.0429 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 130.498 |
| InChI Key: | DOLJMYMGCAPLGE-UHFFFAOYSA-N |