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Home Carboxys Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propen-1-yl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propen-1-yl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-

CAS No.:
101007-06-1
Catalog Number:
AG0003I0
Molecular Formula:
C26H21F6NO5
Molecular Weight:
541.4391
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Product Description
Catalog Number:
AG0003I0
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propen-1-yl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-
CAS Number:
101007-06-1
Molecular Formula:
C26H21F6NO5
Molecular Weight:
541.4391
MDL Number:
MFCD03695486
IUPAC Name:
[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
InChI:
InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1
InChI Key:
YLFSVIMMRPNPFK-WEQBUNFVSA-N
SMILES:
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F
EC Number:
600-147-6
UNII:
QUI1AZ37K6
Properties
Complexity:
917  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
541.132g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
541.446g/mol
Monoisotopic Mass:
541.132g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  
Literature
Title Journal
Novel cytochrome P450 genes, CYP6EB1 and CYP6EC1, are over-expressed in acrinathrin-resistant Frankliniella occidentalis (Thysanoptera: Thripidae). Journal of economic entomology 20120601
Esterase inhibition by synergists in the western flower thrips Frankliniella occidentalis. Pest management science 20111201
Life-stage variation in insecticide resistance of the western flower thrips (Thysanoptera: Thripidae). Journal of economic entomology 20101201
Carbamates synergize the toxicity of acrinathrin in resistant western flower thrips (Thysanoptera: Thripidae). Journal of economic entomology 20090201
Esterase isoenzymes and insecticide resistance in Frankliniella occidentalis populations from the south-east region of Spain. Pest management science 20081201
Impact of production system on development of insecticide resistance in Frankliniella occidentalis (Thysanoptera: Thripidae). Journal of economic entomology 20081001
Inheritance of resistance to acrinathrin in Frankliniella occidentalis (Thysanoptera: Thripidae). Pest management science 20080501
Lack of fitness costs of insecticide resistance in the western flower thrips (Thysanoptera: Thripidae). Journal of economic entomology 20080401
Assessing supercritical fluid extraction for the analysis of fipronil, kresoxim-methyl, acrinathrin, and pyridaben residues in melon. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20070101
Relationship between esterase activity and acrinathrin and methiocarb resistance in field populations of western flower thrips, Frankliniella occidentalis. Pest management science 20061201
Residual fate of acrinathrin in tea under East-Indian climatic condition. Bulletin of environmental contamination and toxicology 20041001
Properties