2-(4-methyl-3-nitrophenyl)-2-oxoethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 4483-3283 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 461.22 |
| Molecular Formula: | C19 H13 Br N2 O7 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(CN1C(c2ccc(cc2C1=O)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5524 |
| logD: | 3.5524 |
| logSw: | -3.9008 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.353 |
| InChI Key: | IFZCVKHOBWCOEX-UHFFFAOYSA-N |