Cyhalothrin
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CAS Number 68085-85-8
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Catalog Number io-2076
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Classification Esters
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Molecular Weight 449.8000
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SMILES CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C
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Cyhalothrin is a carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. It has a role as a pyrethroid ester insecticide, a pyrethroid ester acaricide and an agrochemical. It is an aromatic ether, a nitrile, an organochlorine compound, an organofluorine compound and a cyclopropanecarboxylate ester. It is functionally related to a 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid.
| 1 | CYHALOTHRIN |
| 2 | Cyhalothrine |
| 3 | Grenade |
| 4 | lambda-Cyhalothrin |
| 5 | PP 563 |
| Molecular Formula | C23H19ClF3NO3 |
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| Canonical SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C |
| Isomeric SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C |
| Molecular Weight | 449.8000 |
| InChIKey | ZXQYGBMAQZUVMI-UNOMPAQXSA-N |
| InChI | InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12- |
| XLogP | 6.1000 |
| ExactMass | 449.1006 |
| MonoisotopicMass | 449.1006 |
| TPSA | 59.3000 |
| Complexity | 736.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 7 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 31 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 3 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 3 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 20811 |
| PatentFamilyCount | 6424 |
| LiteratureCount | 1582 |
