3,4,4-trichloro-1-(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-1-one
Chemical Structure Depiction of
3,4,4-trichloro-1-(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-1-one
3,4,4-trichloro-1-(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-1-one
Compound characteristics
| Compound ID: | 8015-3077 |
| Compound Name: | 3,4,4-trichloro-1-(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-1-one |
| Molecular Weight: | 267.54 |
| Molecular Formula: | C9 H9 Cl3 N2 O |
| Smiles: | Cc1cc(C)n(C(CC(=C([Cl])[Cl])[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0416 |
| logD: | 2.0416 |
| logSw: | -2.4727 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.05 |
| InChI Key: | MNUMEEXPXCXIDJ-UHFFFAOYSA-N |