methyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
methyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0584-0663 |
| Compound Name: | methyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 326.26 |
| Molecular Formula: | C16 H10 N2 O6 |
| Smiles: | COC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7785 |
| logD: | 2.7785 |
| logSw: | -3.3322 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.435 |
| InChI Key: | CQJAWXXYCBUCCE-UHFFFAOYSA-N |