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Hydroxy-cypermethrin

CAT: 0926-PCA69163-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-PCA69163-01Size:1 mg
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CAS Number
64691-63-0
Smiles
CC1 (C (C1C (=O) OC (C#N) C2=CC (=CC=C2) OC3=CC=C (C=C3) O) C=C (Cl) Cl) C
Molecular Formula
C22H19Cl2NO4
Molecular Weight
432.3 g/mol
Controlled
No

Chemical Information

Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-(4-hydroxyphenoxy)phenyl)methyl ester
CAS Number64691-63-0
PubChem CID182438
IUPAC Name[cyano-[3-(4-hydroxyphenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC22H19Cl2NO4
Molecular Weight432.3
XLogP5.7
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity674
SMILES
CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=C(C=C3)O)C=C(Cl)Cl)C
InChI
InChI=1S/C22H19Cl2NO4/c1-22(2)17(11-19(23)24)20(22)21(27)29-18(12-25)13-4-3-5-16(10-13)28-15-8-6-14(26)7-9-15/h3-11,17-18,20,26H,1-2H3
InChIKey
RMCYSJORMXBLLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-(4-hydroxyphenoxy)phenyl)methyl ester
CAS: 64691-63-0
CID: 182438
Formula: C22H19Cl2NO4
MW: 432.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.3
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass431.0691135
Monoisotopic Mass431.0691135
Topological Polar Surface Area79.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-C646920-100MG(S)-Hydroxy-cypermethrin
TRC-C646915-100MG(R)-Hydroxy-cypermethrin
TRC-C646910-50MGHydroxy-cypermethrin (Racemic Mixture) (1:1)
469868-01θ-Cypermethrin
RG-A260768-01Cypermethrin
RG-A260855-01α-Cypermethrin
sc-357296Aβ-Cypermethrin
269130-01A-Cypermethrin
CS-T-73119Zeta-Cypermethrin
TRC-C989525-100MGtheta-Cypermethrin

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