methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 1021-0159 |
| Compound Name: | methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 342.26 |
| Molecular Formula: | C16 H10 N2 O7 |
| Smiles: | COC(c1ccc(cc1O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9971 |
| logD: | 1.4884 |
| logSw: | -2.6402 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.682 |
| InChI Key: | MBPCXRJBGYAGAH-UHFFFAOYSA-N |