Marvin  08200717092D          

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M  END
> <ID>
CHEBI:3093

> <NAME>
bifenthrin

> <DEFINITION>
A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol.

> <STAR>
3

> <SYNONYM>
Biphenthrin; Bifenthrin

> <IUPAC_NAME>
(2-methyl-[1,1'-biphenyl]-3-yl)methyl rel-(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate

> <FORMULA>
C23H22ClF3O2

> <MASS>
422.86749

> <MONOISOTOPIC_MASS>
422.12604

> <CHARGE>
0

> <SMILES>
Cc1c(COC(=O)[C@@H]2[C@H](\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1

> <INCHI>
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1

> <INCHIKEY>
OMFRMAHOUUJSGP-IRHGGOMRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8512305

> <CAS_REGISTRY_NUMBER>
82657-04-3

> <CHEMIDPLUS>
82657-04-3

> <KEGG_COMPOUND_ACCESSION>
C10980

> <PUBMED_CITATION>
19950221; 20563640; 21104824; 21246035; 21360666; 21370390; 21394881; 21503692; 21520766; 21563678; 21635642; 21718662; 21735922; 21770011; 21819079

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