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2-(2-chloropyrimidin-5-yl)acetic acid - 97%, high purity , CAS No.933685-81-5

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 933685-81-5
Molecular Weight: 172.57
EC Number: 869-902-7
PubChem CID: 55267811

In stock

Item Number

A635183

Grouped product items
SKU	Size	Availability	Price
A635183-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$197.90
A635183-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$329.90
A635183-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$461.90
A635183-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$659.90
A635183-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,301.90

Basic Description

Synonyms	2-Chloropyrimidine-5-acetic acid \| QUXDHXIGIYSSPG-UHFFFAOYSA-N \| AKOS006314077 \| 2-(2-chloropyrimidin-5-yl)acetic acid \| D76258 \| 2-chloro-5-carboxymethylpyrimidine \| EN300-150712 \| SB57159 \| SCHEMBL1404488 \| PS-18343 \| 2-(2-chloropyrimidin-5-yl)aceticaci
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Halopyrimidines
        Level6 2-halopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Halopyrimidines
Direct Parent	2-halopyrimidines
Alternative Parents	Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with 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	2-(2-chloropyrimidin-5-yl)acetic acid
INCHI	InChI=1S/C6H5ClN2O2/c7-6-8-2-4(3-9-6)1-5(10)11/h2-3H,1H2,(H,10,11)
InChIKey	QUXDHXIGIYSSPG-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=N1)Cl)CC(=O)O
Isomeric SMILES	C1=C(C=NC(=N1)Cl)CC(=O)O
Alternate CAS	933685-81-5
PubChem CID	55267811
Molecular Weight	172.57

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.570 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	172.004 Da
Monoisotopic Mass	172.004 Da
Topological Polar Surface Area	63.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146.000
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

Citations of This Product

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