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Diclobutrazol (Standard)

CAT: 0804-HY-W019803RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W019803RSize:1 Each
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Description
Diclobutrazol (Standard) is the analytical standard of Diclobutrazol. This product is intended for research and analytical applications. Diclobutrazol, a systemic fungicide, is highly active against rusts, powdery mildews, and other fungal phytopathogens. Diclobutrazol can be used as a pesticide to control of various crop diseases[1][2][3].
CAS Number
75736-33-3
UNSPSC
12352005
Target
Fungal; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection; Others
Assay Protocol
https://www.medchemexpress.com/diclobutrazol-standard.html
Smiles
CC(C)(C)[C@H](O)[C@]([H])(CC1=C(Cl)C=C(Cl)C=C1)N2C=NC=N2
Molecular Formula
C15H19Cl2N3O
Molecular Weight
328.24
References & Citations
[1]Bicchi C, et, al. Simultaneous determination of six triazolic pesticide residues in apple and pear pulps by liquid chromatography with ultraviolet diode array detection. J AOAC Int. Sep-Oct 2001;84 (5) :1543-50.|[2]Mercer EI, et, al. Effect of some sterol-biosynthesis-inhibiting fungicides on the biosynthesis of polyisoprenoid compounds in barley seedings. Steroids. Mar-May 1989;53 (3-5) :393-412.|[3]Lamb DC, et, al. Differential inhibition of human CYP3A4 and Candida albicans CYP51 with azole antifungal agents. Chem Biol Interact. 2000 Mar 15;125 (3) :165-75.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Diclobutrazol

Diclobutrazol is a conazole fungicide and a triazole fungicide.

CAS Number75736-33-3
PubChem CID53309
IUPAC Name1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.2
XLogP3.8
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity337
SMILES
CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
InChI
InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
InChIKey
URDNHJIVMYZFRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diclobutrazol
CAS: 75736-33-3
CID: 53309
Formula: C15H19Cl2N3O
MW: 328.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.2
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass327.0905176
Monoisotopic Mass327.0905176
Topological Polar Surface Area50.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity337
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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