Fenvalerate
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CAS Number 51630-58-1
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Catalog Number io-2387
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Classification Aryl Halides
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Molecular Weight 419.9000
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SMILES CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
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Fenvalerate is a carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol. It has a role as a pyrethroid ester insecticide and a pyrethroid ester acaricide. It is a carboxylic ester, an aromatic ether and a member of monochlorobenzenes. It is functionally related to a 2-(4-chlorophenyl)-3-methylbutyric acid.
| 1 | fenvalerate |
| 2 | Phenvalerate |
| 3 | Pydrin |
| 4 | Sumicidin |
| 5 | Belmark |
| Molecular Formula | C25H22ClNO3 |
|---|---|
| Canonical SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| Isomeric SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| Molecular Weight | 419.9000 |
| InChIKey | NYPJDWWKZLNGGM-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3 |
| XLogP | 6.2000 |
| ExactMass | 419.1288 |
| MonoisotopicMass | 419.1288 |
| TPSA | 59.3000 |
| Complexity | 586.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 30 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 2 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 44036 |
| PatentFamilyCount | 10783 |
| LiteratureCount | 1000 |
