methyl 4-[({[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}acetyl)oxy]benzoate
Chemical Structure Depiction of
methyl 4-[({[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}acetyl)oxy]benzoate
methyl 4-[({[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}acetyl)oxy]benzoate
Compound characteristics
| Compound ID: | 8006-9653 |
| Compound Name: | methyl 4-[({[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}acetyl)oxy]benzoate |
| Molecular Weight: | 442.34 |
| Molecular Formula: | C20 H14 N2 O10 |
| Smiles: | COC(c1ccc(cc1)OC(COC(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1487 |
| logD: | 1.1487 |
| logSw: | -2.3535 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 124.335 |
| InChI Key: | HXYFXFJUXUAEAR-UHFFFAOYSA-N |