2-(4-methoxy-2-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-methoxy-2-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
2-(4-methoxy-2-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K040-0051 |
| Compound Name: | 2-(4-methoxy-2-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 343.25 |
| Molecular Formula: | C15 H9 N3 O7 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7747 |
| logD: | 1.7747 |
| logSw: | -2.4098 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.284 |
| InChI Key: | MVINBYIMKDXCBP-UHFFFAOYSA-N |