Permethrin (cis/trans mixture)

Chemical Information
Permethrin is a cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups. It has a role as an agrochemical, an ectoparasiticide, a pyrethroid ester insecticide, a pyrethroid ester acaricide and a scabicide. It is a cyclopropanecarboxylate ester and a member of cyclopropanes. It is functionally related to a 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid.
| CAS Number | 52645-53-1 |
| PubChem CID | 40326 |
| IUPAC Name | (3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate |
| Molecular Formula | C21H20Cl2O3 |
| Molecular Weight | 391.3 |
| XLogP | 6.5 |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 521 |
| Property | Value |
|---|---|
| Molecular Weight | 391.3 |
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 390.0789499 |
| Monoisotopic Mass | 390.0789499 |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 521 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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