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7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one - 97%, high purity , CAS No.1020039-12-6

COA

Grade & Purity:

≥97%

Cas Number: 1020039-12-6
Molecular Weight: 169.56
PubChem CID: 55266115

In stock

Item Number

C677753

Grouped product items
SKU	Size	Availability	Price
C677753-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$258.90
C677753-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$430.90
C677753-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$616.90
C677753-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$920.90
C677753-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,764.90
C677753-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,606.90
C677753-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9,212.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Triazolones
        Level6 Aryl 1,2,4-triazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Triazolones
Direct Parent	Aryl 1,2,4-triazolones
Alternative Parents	Triazolopyridines Pyridinones Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl 1,2,4-triazol-3-one - Triazolopyridine - Pyridinone - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
INCHI	InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11)
InChIKey	RJGCGYRBLODQEG-UHFFFAOYSA-N
Smiles	C1=CN2C(=NNC2=O)C=C1Cl
Isomeric SMILES	C1=CN2C(=NNC2=O)C=C1Cl
PubChem CID	55266115
Molecular Weight	169.56

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	169.570 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	169.004 Da
Monoisotopic Mass	169.004 Da
Topological Polar Surface Area	44.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	305.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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