4-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
4-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2237-0009 |
| Compound Name: | 4-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid |
| Molecular Weight: | 326.26 |
| Molecular Formula: | C16 H10 N2 O6 |
| Smiles: | Cc1ccc(cc1N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1785 |
| logD: | 0.9064 |
| logSw: | -3.2804 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.369 |
| InChI Key: | VBOHWCIYEAWYFU-UHFFFAOYSA-N |