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Permethrin EP Impurity H

CAT: 1596-AR-P01514-03Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01514-03Size:250 Units
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CAS Number
56860-12-9
Synonyms
3- (2,2-dichlorovinyl) -2,2-dimethylcyclopropanecarboxylic anhydride
Molecular Formula
C16H18Cl4O3
Molecular Weight
400.12
API Name
Permethrin

Chemical Information

3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride
CAS Number56860-12-9
PubChem CID92550
IUPAC Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC16H18Cl4O3
Molecular Weight400.1
XLogP5.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity546
SMILES
CC1(C(C1C(=O)OC(=O)C2C(C2(C)C)C=C(Cl)Cl)C=C(Cl)Cl)C
InChI
InChI=1S/C16H18Cl4O3/c1-15(2)7(5-9(17)18)11(15)13(21)23-14(22)12-8(6-10(19)20)16(12,3)4/h5-8,11-12H,1-4H3
InChIKey
CFCQREDNKXNRIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride
CAS: 56860-12-9
CID: 92550
Formula: C16H18Cl4O3
MW: 400.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.1
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass399.998055
Monoisotopic Mass398.001005
Topological Polar Surface Area43.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-P681809-01Permethrin Impurity 9
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RM-P681802-01Permethrin EP Impurity B
RM-P681803-01Permethrin EP Impurity C
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