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Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate

Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate - CAS 1372711-70-0

Catalog:	BB008535
Product Name:	Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate
CAS:	1372711-70-0
Synonyms:	5-bromo-2-methyl-4-triazolecarboxylic acid methyl ester; methyl 5-bromo-2-methyltriazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-methyltriazole-4-carboxylate
Description:	Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate (CAS# 1372711-70-0 ) is a useful research chemical.
Molecular Weight:	220.02
Molecular Formula:	C5H6BrN3O2
Canonical SMILES:	CN1N=C(C(=N1)Br)C(=O)OC
InChI:	InChI=1S/C5H6BrN3O2/c1-9-7-3(4(6)8-9)5(10)11-2/h1-2H3
InChI Key:	BSHWJBSHZPLXDB-UHFFFAOYSA-N
LogP:	0.36420

Publication Number	Title	Priority Date
CA-3013927-A1	Halo-substituted piperidines as orexin receptor modulators	20160212
EP-3414241-A1	Halo-substituted piperidines as orexin receptor modulators	20160212
JP-2019511466-A	Halo substituted piperidines as orexin receptor modulators	20160212
KR-20180107232-A	The halo-substituted piperidine as an orexin receptor modulator	20160212
TW-201731835-A	Halogen-substituted hexahydropyridine as an orexin receptor modulator	20160212

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.96434
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.96434
Rotatable Bond Count:	2
Topological Polar Surface Area:	57
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5