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Becliconazole

CAT: 0013-GTR19241836-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241836-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Becliconazole (1-CBCMI) is a synthetic small molecule with antifungal properties. It is utilized in biochemical research to investigate antifungal mechanisms and efficacy, both in cell-based (in vitro) assays and in animal model (in vivo) studies of fungal infection.
CAS Number
192446-75-6
Smiles
C (C1=CC=2C (O1) =CC=C (Cl) C2) (C3=C (Cl) C=CC=C3) N4C=CN=C4
Molecular Formula
C18H12Cl2N2O
Molecular Weight
343.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Becliconazole
CAS Number192446-75-6
PubChem CID65915
IUPAC Name1-[(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.2
XLogP5
Topological Polar Surface Area31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity410
SMILES
C1=CC=C(C(=C1)C(C2=CC3=C(O2)C=CC(=C3)Cl)N4C=CN=C4)Cl
InChI
InChI=1S/C18H12Cl2N2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H
InChIKey
ZSTBJMFRJPALNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Becliconazole
CAS: 192446-75-6
CID: 65915
Formula: C18H12Cl2N2O
MW: 343.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.2
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass342.0326684
Monoisotopic Mass342.0326684
Topological Polar Surface Area31 Ų
Heavy Atom Count23
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202700-01Becliconazole
T202645-01Becliconazole HCl

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