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Methyl 5-Chloroisoxazolo[4,5-b]pyrazine-3-carboxylate

Methyl 5-Chloroisoxazolo[4,5-b]pyrazine-3-carboxylate - CAS 1374986-05-6

Catalog:	BB008580
Product Name:	Methyl 5-Chloroisoxazolo[4,5-b]pyrazine-3-carboxylate
CAS:	1374986-05-6
Synonyms:	5-chloro-3-isoxazolo[4,5-b]pyrazinecarboxylic acid methyl ester; methyl 5-chloro-[1,2]oxazolo[4,5-b]pyrazine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-chloro-[1,2]oxazolo[4,5-b]pyrazine-3-carboxylate
Description:	Methyl 5-Chloroisoxazolo[4,5-b]pyrazine-3-carboxylate (CAS# 1374986-05-6) is a useful research chemical.
Molecular Weight:	213.58
Molecular Formula:	C7H4ClN3O3
Canonical SMILES:	COC(=O)C1=NOC2=NC=C(N=C12)Cl
InChI:	InChI=1S/C7H4ClN3O3/c1-13-7(12)5-4-6(14-11-5)9-2-3(8)10-4/h2H,1H3
InChI Key:	WCIHVCUELIPOED-UHFFFAOYSA-N
LogP:	1.05780

Publication Number	Title	Priority Date
EP-2639235-B1	Pyrazino[2,3-d]isooxazole derivative	20101112
US-2013245264-A1	Pyrazino[2,3-d]isoxazole derivative	20101112
US-2015051396-A1	Substituted pyrazino[2,3-d]isooxazoles as intermediates for the synthesis of substituted pyrazinecarboxamides	20101112
US-8901302-B2	Pyrazino[2,3-D]isoxazole derivative which is useful as a production intermediate of pyrazine carboxamide derivative	20101112
US-9181203-B2	Substituted pyrazino[2,3-d]isooxazoles as intermediates for the synthesis of substituted pyrazinecarbonitriles and substituted pyrazinecarboxamides	20101112

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.9941187
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.9941187
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1