Cyfluthrin
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CAS Number 68359-37-5
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Catalog Number io-2075
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Classification Aryl Halides
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Molecular Weight 434.3000
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SMILES CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
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Cyfluthrin is a carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile. It has a role as a pyrethroid ester insecticide and an agrochemical. It is an organochlorine compound, an organofluorine compound, a nitrile, an aromatic ether and a cyclopropanecarboxylate ester. It is functionally related to a 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid.
1 | CYFLUTHRIN |
2 | Cyfoxylate |
3 | Baythroid |
4 | Responsar |
5 | Syfrutrin |
Molecular Formula | C22H18Cl2FNO3 |
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Canonical SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C |
Isomeric SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C |
Molecular Weight | 434.3000 |
InChIKey | QQODLKZGRKWIFG-UHFFFAOYSA-N |
InChI | InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3 |
XLogP | 6.2000 |
ExactMass | 433.0648 |
MonoisotopicMass | 433.0648 |
TPSA | 59.3000 |
Complexity | 679.0000 |
Charge | 0.0000 |
HBondDonorCount | 0 |
HBondAcceptorCount | 5 |
RotatableBondCount | 7 |
HeavyAtomCount | 29 |
IsotopeAtomCount | 0 |
AtomStereoCount | 3 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 3 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 33510 |
PatentFamilyCount | 7937 |
LiteratureCount | 1392 |