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2-Chloro-7，8-dihydropteridin-6(5H)-one - ≥95%, high purity , CAS No.875231-98-4

COA

Grade & Purity:

≥95%

Cas Number: 875231-98-4
Molecular Weight: 184.58
PubChem CID: 29919669

In stock

Item Number

C731701

Grouped product items
SKU	Size	Availability	Price
C731701-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90
C731701-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90
C731701-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$425.90
C731701-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,375.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pteridines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pteridines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pteridines and derivatives
Alternative Parents	Alpha amino acids and derivatives 2-halopyrimidines Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid or derivatives - Pteridine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
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	2-chloro-7,8-dihydro-5H-pteridin-6-one
INCHI	InChI=1S/C6H5ClN4O/c7-6-9-1-3-5(11-6)8-2-4(12)10-3/h1H,2H2,(H,10,12)(H,8,9,11)
InChIKey	OINQHTVVSZHUSS-UHFFFAOYSA-N
Smiles	C1C(=O)NC2=CN=C(N=C2N1)Cl
Isomeric SMILES	C1C(=O)NC2=CN=C(N=C2N1)Cl
PubChem CID	29919669
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	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	184.015 Da
Monoisotopic Mass	184.015 Da
Topological Polar Surface Area	66.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	200.000
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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