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Benzoximate

CAT: 0013-GTR19202724-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202724-01Size:25 mg
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Description
Benzoximate is an acaricide and insecticide compound used in agricultural research. It serves as a tool for studying mite and insect control mechanisms in both in vitro bioassays and field-based in vivo experiments.
CAS Number
29104-30-1
Field of Research
Infectious Disease & Virology
Smiles
O=C (OC (=NOCC) C=1C (OC) =CC=C (Cl) C1OC) C=2C=CC=CC2
Molecular Formula
C18H18ClNO5
Molecular Weight
363.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzoximate
CAS Number29104-30-1
PubChem CID34475
IUPAC Name[(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate
Molecular FormulaC18H18ClNO5
Molecular Weight363.8
XLogP4.1
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity455
SMILES
CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3
InChIKey
HOERQTQCTISLFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoximate
CAS: 29104-30-1
CID: 34475
Formula: C18H18ClNO5
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass363.0873504
Monoisotopic Mass363.0873504
Topological Polar Surface Area65.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T19847-01Benzoximate

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