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Barthrin

CAT: 0013-GTR19199456-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199456-01Size:25 mg
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Description
Barthrin is an experimental pyrethroid insecticide used in agricultural and vector control research. It serves as a reference compound in both in vitro enzymatic assays and in vivo studies to investigate insecticidal mechanisms and resistance.
CAS Number
70-43-9
Smiles
O=C (OCC=1C=C2OCOC2=CC1Cl) C3C (C=C (C) C) C3 (C) C
Molecular Formula
C18H21ClO4
Molecular Weight
336.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Barthrin
CAS Number70-43-9
PubChem CID6266
IUPAC Name(6-chloro-1,3-benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Molecular FormulaC18H21ClO4
Molecular Weight336.8
XLogP4.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity497
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)C
InChI
InChI=1S/C18H21ClO4/c1-10(2)5-12-16(18(12,3)4)17(20)21-8-11-6-14-15(7-13(11)19)23-9-22-14/h5-7,12,16H,8-9H2,1-4H3
InChIKey
KPMWGGRSOPMANK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Barthrin
CAS: 70-43-9
CID: 6266
Formula: C18H21ClO4
MW: 336.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.8
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass336.1128368
Monoisotopic Mass336.1128368
Topological Polar Surface Area44.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity497
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

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