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Difenoconazole

CAT: 0013-GTR19167325-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167325-01Size:50 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
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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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