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Methyl 3-chloro-5-methylpyrazine-2-carboxylate - ≥95%, high purity , CAS No.859063-65-3

COA

Grade & Purity:

≥95%

Cas Number: 859063-65-3
Molecular Weight: 186.59
PubChem CID: 53439786

In stock

Item Number

M733687

Grouped product items
SKU	Size	Availability	Price
M733687-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$137.90
M733687-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$342.90
M733687-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,365.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrazines
      - Level5 Pyrazine carboxylic acids and derivatives
        Level6 Pyrazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrazines
Intermediate Tree Nodes	Pyrazine carboxylic acids and derivatives
Direct Parent	Pyrazine carboxylic acids
Alternative Parents	Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazine carboxylic acid - Aryl chloride - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
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	methyl 3-chloro-5-methylpyrazine-2-carboxylate
INCHI	InChI=1S/C7H7ClN2O2/c1-4-3-9-5(6(8)10-4)7(11)12-2/h3H,1-2H3
InChIKey	PCXXNIDVYAIUHR-UHFFFAOYSA-N
Smiles	CC1=CN=C(C(=N1)Cl)C(=O)OC
Isomeric SMILES	CC1=CN=C(C(=N1)Cl)C(=O)OC
PubChem CID	53439786
Molecular Weight	186.59

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.590 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	186.02 Da
Monoisotopic Mass	186.02 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177.000
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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