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Azoxystrobin Metabolite R401553

CAT: 1459-CS-AZ-00062Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-AZ-00062Size:1 Each
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Description
Azoxystrobin Metabolite R401553 is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-AZ-00062. 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
240802-59-9
Synonyms
Azoxystrobin Metabolite R401553
Molecular Formula
C 11 H 7 N 3 O 2
Molecular Weight
213.19
Additionnal Information
Azoxystrobin Metabolite R401553 is supplied with detailed characterization data compliant with regulatory guideline. Azoxystrobin Metabolite R401553 can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
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

2-((6-Oxo-1,6-dihydropyrimidin-4-yl)oxy)benzonitrile
CAS Number240802-59-9
PubChem CID17853280
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzonitrile
Molecular FormulaC11H7N3O2
Molecular Weight213.19
XLogP0.7
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity391
SMILES
C1=CC=C(C(=C1)C#N)OC2=CC(=O)NC=N2
InChI
InChI=1S/C11H7N3O2/c12-6-8-3-1-2-4-9(8)16-11-5-10(15)13-7-14-11/h1-5,7H,(H,13,14,15)
InChIKey
AEPJWPTWMHUKLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((6-Oxo-1,6-dihydropyrimidin-4-yl)oxy)benzonitrile
CAS: 240802-59-9
CID: 17853280
Formula: C11H7N3O2
MW: 213.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.19
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass213.053826475
Monoisotopic Mass213.053826475
Topological Polar Surface Area74.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes