methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Compound characteristics
| Compound ID: | 8012-8461 |
| Compound Name: | methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate |
| Molecular Weight: | 356.29 |
| Molecular Formula: | C17 H12 N2 O7 |
| Smiles: | COC(c1cc(CN2C(c3ccccc3C2=O)=O)c(c(c1)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7237 |
| logD: | 1.609 |
| logSw: | -3.2178 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.225 |
| InChI Key: | HAIYABUPJWVPCY-UHFFFAOYSA-N |