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Beta-Cypermethrin

CAT: 0926-QCA73184-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-QCA73184-01Size:25 mg
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CAS Number
65731-84-2
Smiles
CC1 ([C@H] ([C@H]1C (=O) O[C@H] (C#N) C2=CC (=CC=C2) OC3=CC=CC=C3) C=C (Cl) Cl) C
Molecular Formula
C22H19Cl2NO3
Molecular Weight
416.3 g/mol
Controlled
No

Chemical Information

Alpha-Cypermethrin

(1R)-cis-(alphaS)-cypermethrin is a cyclopropanecarboxylate ester. It is an enantiomer of a (1S)-cis-(alphaR)-cypermethrin.

CAS Number65731-84-2
PubChem CID93357
IUPAC Nametrans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.3
XLogP6
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI
InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
InChIKey
KAATUXNTWXVJKI-NSHGMRRFSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Cypermethrin
CAS: 65731-84-2
CID: 93357
Formula: C22H19Cl2NO3
MW: 416.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.3
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass415.0741989
Monoisotopic Mass415.0741989
Topological Polar Surface Area59.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes