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Hydroxy-tebuconazole

CAT: 1459-CS-EK-01596Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-EK-01596Size:1 Each
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Description
Hydroxy-tebuconazole is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Tebuconazole. The product is supplied by Clearsynth under CAT No. CS-EK-01596. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
212267-64-6
Synonyms
Hydroxy-tebuconazole
Molecular Formula
C 16 H 22 ClN 3 O 2
Molecular Weight
323.82
Additionnal Information
Hydroxy-tebuconazole is supplied with detailed characterization data compliant with regulatory guideline. Hydroxy-tebuconazole can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Tebuconazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

5-(4-Chlorophenyl)-2,2-dimethyl-3-((1H-1,2,4-triazol-1-yl)methyl)pentane-1,3-diol

See also: Hwg 2061 (annotation moved to).

CAS Number212267-64-6
PubChem CID131667614
IUPAC Name5-(4-chlorophenyl)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentane-1,3-diol
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82
XLogP2.5
Topological Polar Surface Area71.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity348
SMILES
CC(C)(CO)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
InChI
InChI=1S/C16H22ClN3O2/c1-15(2,10-21)16(22,9-20-12-18-11-19-20)8-7-13-3-5-14(17)6-4-13/h3-6,11-12,21-22H,7-10H2,1-2H3
InChIKey
OIKHXEKXIIAQKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Chlorophenyl)-2,2-dimethyl-3-((1H-1,2,4-triazol-1-yl)methyl)pentane-1,3-diol
CAS: 212267-64-6
CID: 131667614
Formula: C16H22ClN3O2
MW: 323.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.82
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass323.1400546
Monoisotopic Mass323.1400546
Topological Polar Surface Area71.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity348
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

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