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para-Cypermethrin

CAT: 0572-TRC-C989400-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989400-250MGSize:250 mg
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CAS Number
61732-64-7
Synonyms
3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid Cyano(4-phenoxyphenyl)methyl Ester
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl/C(Cl)=C\C1C(C(OC(C2=CC=C(OC3=CC=CC=C3)C=C2)C#N)=O)C1(C)C
Molecular Formula
C22H19Cl2NO3
Molecular Weight
416.3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cyano(4-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
CAS Number61732-64-7
PubChem CID107696
IUPAC Name[cyano-(4-phenoxyphenyl)methyl] 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
Complexity635
SMILES
CC1(C(C1C(=O)OC(C#N)C2=CC=C(C=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)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-12,17-18,20H,1-2H3
InChIKey
NGALOHODGJDMHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyano(4-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
CAS: 61732-64-7
CID: 107696
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
Complexity635
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