Cyhalothrin
| PubChem CID | 5281873 |
| Molecular Formula | C23H19ClF3NO3 |
| Structure |
|
| Synonyms |
CYHALOTHRIN
68085-85-8 Cyhalothrine Grenade lambda-Cyhalothrin PP 563 PP-563 ICI 146814 V0V73PEB8M Saber CHEBI:4035 Cyhalothrin (BAN) Cyhalothrin [BAN] [cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester [cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester 91465-08-6 alpha-Cyhalothrin Scimitar cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate Cyhalothrin [BSI:ISO] UNII-V0V73PEB8M Cyhalothrine [ISO-French] DTXSID6023997 HSDB 6791 EINECS 268-450-2 EPA Pesticide Chemical Code 128867 Ici-pp 563 CYHALOTHRIN [MI] CYHALOTHRIN [ISO] CYHALOTHRIN [HSDB] CYHALOTHRIN [MART.] SCHEMBL23923 Coopertix [veterinary] (TN) Cyhalothrin, analytical standard CHEMBL2105498 DTXCID20209356 Tox21_200107 NCGC00248527-01 NCGC00257661-01 (1alpha,3alpha(Z))-(+-)-Cyano-(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate (RS)-alpha-Cyano-3-phenoxybenzyl (Z)-(1RS,3RS)-(2-chloro-3,3,3- trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyan(3-phenoxyphenyl)methyl ester alpha-Cyano-3-phenoxybenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate AS-15902 1ST20231-1000B CAS-68085-85-8 NS00009539 Cyhalothrin Solution in Acetone, 1000?g/mL D07762 EN300-22411495 Q421593 W-111325 (RS)-.ALPHA.-CYANO-3-PHENOXYBENZYL (Z)-(1RS,3RS)-3-(2-CHLORO-3,3,3-TRIFLUOROPROPENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLATE (RS)-alpha-Cyano-3-phenoxybenzyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate (Z)-cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate 1456768-92-5 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcycloproanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester Cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate |
Computed Descriptors
| IUPAC Name | [cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate |
| SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C |
| 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 |
| 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- |
| InChIKey | ZXQYGBMAQZUVMI-UNOMPAQXSA-N |
Computed Properties
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| Molecular Weight | 449.8 g/mol |
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 449.101 |
| Monoisotopic Mass | 449.101 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 736 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
7 pairs of Verified P450 and Cyhalothrin
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Helicoverpa armigera | CYP9A12 | Y | |
| Spodoptera litura | CYP321A10 | R | |
| Spodoptera litura | CYP321A12 | R | |
| Spodoptera litura | CYP321A15 | R | |
| Spodoptera litura | CYP321A7 | R | |
| Spodoptera litura | CYP321A8 | R | |
| Spodoptera litura | CYP321B1 | R |