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Oxadiargyl

CAT: 0013-GTR19172430-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172430-02Size:25 mg
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Description
Oxadiargyl is a protoporphyrinogen oxidase (PPO) inhibitor employed as a herbicide. This small molecule is utilized in agricultural research to study its mechanism of action and phytotoxic effects in both plant-based in vitro assays and controlled in vivo applications.
CAS Number
39807-15-3
Product Name Alternative
RP020630, RP-020630, RP 020630, Topstar, protoporphyrinogen oxidase, Oxadiargyl
Purity
99.36% (May vary between batches)
Solubility
DMSO:Soluble
Smiles
O=C1N (N=C (C (C) (C) C) O1) C2=CC (OCC#C) =C (Cl) C=C2Cl
Molecular Formula
C15H14Cl2N2O3
Molecular Weight
341.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxadiargyl

an herbicide; structure in first source

CAS Number39807-15-3
PubChem CID94498
IUPAC Name5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.2
XLogP4.1
Topological Polar Surface Area51.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity521
SMILES
CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C
InChI
InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3
InChIKey
DVOODWOZJVJKQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxadiargyl
CAS: 39807-15-3
CID: 94498
Formula: C15H14Cl2N2O3
MW: 341.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.2
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass340.0381477
Monoisotopic Mass340.0381477
Topological Polar Surface Area51.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity521
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
BUP11021-01Oxadiargyl
HY-122319ROxadiargyl (Standard)
P18880AOxadiargyl [CAS:39807-15-3] 100ug/ml in Acetonitrile

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