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6-Chloro-9-methyl-7H-purin-8(9H)-one - ≥95%, high purity , CAS No.84602-79-9

COA

Grade & Purity:

≥95%

Cas Number: 84602-79-9
Molecular Weight: 184.58
PubChem CID: 11309929

In stock

Item Number

C692507

Grouped product items
SKU	Size	Availability	Price	Qty
C692507-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,532.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Purinones
Alternative Parents	Halopyrimidines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purinone - Halopyrimidine - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Urea - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
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	6-chloro-9-methyl-7H-purin-8-one
INCHI	InChI=1S/C6H5ClN4O/c1-11-5-3(10-6(11)12)4(7)8-2-9-5/h2H,1H3,(H,10,12)
InChIKey	KJZYRUQLZCSBSC-UHFFFAOYSA-N
Smiles	CN1C2=C(C(=NC=N2)Cl)NC1=O
Isomeric SMILES	CN1C2=C(C(=NC=N2)Cl)NC1=O
PubChem CID	11309929
Molecular Weight	184.58

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.580 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	184.015 Da
Monoisotopic Mass	184.015 Da
Topological Polar Surface Area	58.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	212.000
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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