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Oxadiargyl

CAT: 0931-T20719-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20719-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39807-15-3
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
Oxadiargyl (RP020630), a protoporphyrinogen oxidase inhibitor, is used as a herbicide in China.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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