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Permethrin EP Impurity G

CAT: 1299-RM-P681807-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P681807-02Size:25 mg
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CAS Number
64964-54-1
Synonyms
3-phenoxybenzyl 3- (chloroethynyl) -2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula
C21H19ClO3
Molecular Weight
354.83
Target Alternative Name
Permethrin
Product Name Synonym
3-phenoxybenzyl 3- (chloroethynyl) -2,2-dimethylcyclopropane-1-carboxylate

Chemical Information

Permethrin EP Impurity G
CAS Number64964-54-1
PubChem CID13035093
IUPAC Name(3-phenoxyphenyl)methyl 3-(2-chloroethynyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC21H19ClO3
Molecular Weight354.8
XLogP5.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity538
SMILES
CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C#CCl)C
InChI
InChI=1S/C21H19ClO3/c1-21(2)18(11-12-22)19(21)20(23)24-14-15-7-6-10-17(13-15)25-16-8-4-3-5-9-16/h3-10,13,18-19H,14H2,1-2H3
InChIKey
FJEFBSUEZRQPIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Permethrin EP Impurity G
CAS: 64964-54-1
CID: 13035093
Formula: C21H19ClO3
MW: 354.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.8
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass354.1022722
Monoisotopic Mass354.1022722
Topological Polar Surface Area35.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes