Methyl 3,6-Dibromopyrazine-2-carboxylate - CAS 13301-04-7

Catalog:	BB007671
Product Name:	Methyl 3,6-Dibromopyrazine-2-carboxylate
CAS:	13301-04-7
Synonyms:	3,6-dibromo-2-pyrazinecarboxylic acid methyl ester; methyl 3,6-dibromopyrazine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3,6-dibromopyrazine-2-carboxylate
Description:	Methyl 3,6-Dibromopyrazine-2-carboxylate (CAS# 13301-04-7) is a useful research chemical.
Molecular Weight:	295.92
Molecular Formula:	C6H4Br2N2O2
Canonical SMILES:	COC(=O)C1=NC(=CN=C1Br)Br
InChI:	InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3
InChI Key:	OHKYQPNNVGHVOT-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD11976863
LogP:	1.78820

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WO-2021043077-A1	Substituted pyrazine compound and preparation method therefor and use thereof	20190906
WO-2021032934-A1	Enzyme inhibitors	20190821
WO-2020239853-A1	Microbiocidal derivatives	20190529

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Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.8619
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	293.86395
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2