butyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
butyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
butyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0627-0187 |
| Compound Name: | butyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 368.34 |
| Molecular Formula: | C19 H16 N2 O6 |
| Smiles: | CCCCOC(c1cccc(c1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2059 |
| logD: | 3.2059 |
| logSw: | -3.8163 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.008 |
| InChI Key: | UARBLGXOVVMZID-UHFFFAOYSA-N |