Name: Methyl 3,5-dibromopyrazine-2-carboxylate - ≥96% , CAS No.1035818-91-7
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Taxonomic Classification

Taxonomy Tree

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 bromides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazine carboxylic acid - Aryl bromide - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	295.920 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	295.862 Da
Monoisotopic Mass	293.864 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179.000
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

Solution Calculators

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Reviews

Canonical Smiles	COC(=O)C1=NC=C(N=C1Br)Br
IUPAC Name	methyl 3,5-dibromopyrazine-2-carboxylate
InChIKey	UGSDJCJVOHRWIA-UHFFFAOYSA-N
INCHI	1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
Isomeric SMILES	COC(=O)C1=NC=C(N=C1Br)Br
PubChem CID	45790796
Molecular Weight	295.9

Methyl 3,5-dibromopyrazine-2-carboxylate - ≥96% , CAS No.1035818-91-7

Specifications