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1-Acetyl-5-chloropyrazolo[3，4-c]pyridine - ≥97%, high purity , CAS No.76006-04-7

COA

Grade & Purity:

≥97%

Cas Number: 76006-04-7
Molecular Weight: 195.6
PubChem CID: 12668483

In stock

Item Number

A727007

Grouped product items
SKU	Size	Availability	Price	Qty
A727007-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,393.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	2-halopyridines
Alternative Parents	Aryl chlorides Pyrazoles Heteroaromatic compounds Acetamides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-halopyridine - Aryl chloride - Aryl halide - Azole - Pyrazole - Heteroaromatic compound - Acetamide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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	1-(5-chloropyrazolo[3,4-c]pyridin-1-yl)ethanone
INCHI	InChI=1S/C8H6ClN3O/c1-5(13)12-7-4-10-8(9)2-6(7)3-11-12/h2-4H,1H3
InChIKey	MBQYZUMHHMYCBJ-UHFFFAOYSA-N
Smiles	CC(=O)N1C2=CN=C(C=C2C=N1)Cl
Isomeric SMILES	CC(=O)N1C2=CN=C(C=C2C=N1)Cl
PubChem CID	12668483
Molecular Weight	195.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	195.600 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	195.02 Da
Monoisotopic Mass	195.02 Da
Topological Polar Surface Area	47.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	223.000
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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1-Acetyl-5-chloropyrazolo[3，4-c]pyridine - ≥97%, high purity , CAS No.76006-04-7

Basic Description