2-(4-bromo-3-methyl-1H-pyrazol-5-yl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-bromo-3-methyl-1H-pyrazol-5-yl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
2-(4-bromo-3-methyl-1H-pyrazol-5-yl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K040-0018 |
| Compound Name: | 2-(4-bromo-3-methyl-1H-pyrazol-5-yl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C12 H4 Br Cl4 N3 O2 |
| Smiles: | Cc1c(c([nH]n1)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6126 |
| logD: | 3.6126 |
| logSw: | -5.3728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.151 |
| InChI Key: | DZZFBLCICIKLLB-UHFFFAOYSA-N |