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Penconazole

CAT: 0926-FP161161-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FP161161-02Size:500 mg
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CAS Number
66246-88-6
MDL Number
MFCD00078737
Smiles
CCCC (CN1C=NC=N1) C2=C (C=C (C=C2) Cl) Cl
Molecular Formula
C13H15Cl2N3
Molecular Weight
284.18 g/mol
Controlled
No

Chemical Information

Penconazole

1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole is a member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. It is a dichlorobenzene and a member of triazoles.

CAS Number66246-88-6
PubChem CID91693
IUPAC Name1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
Molecular FormulaC13H15Cl2N3
Molecular Weight284.18
XLogP4.4
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity252
SMILES
CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
InChIKey
WKBPZYKAUNRMKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penconazole
CAS: 66246-88-6
CID: 91693
Formula: C13H15Cl2N3
MW: 284.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.18
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass283.0643029
Monoisotopic Mass283.0643029
Topological Polar Surface Area30.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity252
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

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HY-135761R-01Penconazole (Standard)
DAG-WT024KPenconazole [KLH]
462136Penconazole 5-Carboxylic Acid
LCS-42671000 ug/mL Penconazole in LCMS Acetonitrile - 1ML
P846520Penconazole [CAS:66246-88-6] 100 ug/ml in Acetone
P846540Penconazole [CAS:66246-88-6] 100 ug/ml in Acetonitrile

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