2-(4-tert-butyl-2-nitrophenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-tert-butyl-2-nitrophenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
2-(4-tert-butyl-2-nitrophenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K212-0002 |
| Compound Name: | 2-(4-tert-butyl-2-nitrophenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 462.11 |
| Molecular Formula: | C18 H12 Cl4 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(c(c1)[N+]([O-])=O)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5121 |
| logD: | 5.5121 |
| logSw: | -7.0741 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.66 |
| InChI Key: | KNSJBAIHDBJEKZ-UHFFFAOYSA-N |