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Propiconazole

CAT: 0013-GTR19259864-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259864-02Size:50 mg
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Description
Propiconazole is an agricultural pesticide.
CAS Number
60207-90-1
Purity
>98% (HPLC)
Smiles
ClC1=CC=C (C (Cl) =C1) C2 (OCC (O2) CCC) CN3N=CN=C3
Molecular Formula
C15H17Cl2N3O2
Molecular Weight
342.22
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Propiconazole

Propiconazole is the cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds. It has a role as a xenobiotic, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor, an environmental contaminant and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, a cyclic ketal, a conazole fungicide and a triazole fungicide.

CAS Number60207-90-1
PubChem CID43234
IUPAC Name1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.2
XLogP3.5
Topological Polar Surface Area49.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity377
SMILES
CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChIKey
STJLVHWMYQXCPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propiconazole
CAS: 60207-90-1
CID: 43234
Formula: C15H17Cl2N3O2
MW: 342.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.2
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass341.0697822
Monoisotopic Mass341.0697822
Topological Polar Surface Area49.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity377
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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MBS5772576Propiconazole
WZB81814-01Propiconazole-d7
HY-B0847R-01Propiconazole (Standard)
KCA20789Destriazolyl bromo propiconazole
AR-P32937-01Propiconazole Impurity 2
AR-P32936-01Propiconazole Impurity 1
HY-B0847S1Propiconazole-d3 (nitrate)
S-3186Propiconazole (Tilt) - 1ML

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