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Difenoconazole

CAT: 0013-GTR19167325-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167325-03Size:100 mg
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Description
Difenoconazole
CAS Number
119446-68-3
Product Name Alternative
Inhibitor, inhibit, Fungal, Difenoconazole
Field of Research
Infectious Disease & Virology
Purity
97.11% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.46 mM) ; DMSO:4.07 mg/mL (10.02 mM)
Smiles
CC1COC (Cn2cncn2) (O1) c1ccc (Oc2ccc (Cl) cc2) cc1Cl
Molecular Formula
C19H17Cl2N3O3
Molecular Weight
406.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Difenoconazole

Difenoconazole is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. 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 an aromatic ether, a member of triazoles, a dioxolane, a cyclic ketal, a conazole fungicide and a triazole fungicide.

CAS Number119446-68-3
PubChem CID86173
IUPAC Name1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.3
XLogP4
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
InChIKey
BQYJATMQXGBDHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Difenoconazole
CAS: 119446-68-3
CID: 86173
Formula: C19H17Cl2N3O3
MW: 406.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.3
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass405.0646968
Monoisotopic Mass405.0646968
Topological Polar Surface Area58.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
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

Alternative Products

CatalogName
FD32937-01Difenoconazole
AR-D07043-01Difenoconazole-d6
HY-B0850R-01Difenoconazole (Standard)

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