5-chloro-1H-1,2,3-triazole-4-carboxylic acid - CAS 908072-81-1

Catalog:	BB039958
Product Name:	5-chloro-1H-1,2,3-triazole-4-carboxylic acid
CAS:	908072-81-1
Synonyms:	5-chloro-2H-triazole-4-carboxylic acid; 5-chloro-2H-triazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-2H-triazole-4-carboxylic acid
Description:	5-chloro-1H-1,2,3-triazole-4-carboxylic acid (CAS# 908072-81-1 ) is a useful research chemical.
Molecular Weight:	147.518
Molecular Formula:	C3H2ClN3O2
Canonical SMILES:	C1(=NNN=C1Cl)C(=O)O
InChI:	InChI=1S/C3H2ClN3O2/c4-2-1(3(8)9)5-7-6-2/h(H,8,9)(H,5,6,7)
InChI Key:	RONLJTWPNUWVKD-UHFFFAOYSA-N
LogP:	0.15630

Publication Number	Title	Priority Date
US-2021323960-A1	Fused tri-cyclic compound as pde3/pde4 dual inhibitor	20180713
WO-2014089728-A1	1-substituted-5-chloro-2h-1,2,3-triazole-4-carboxylate derivative and preparation method therefor	20121214
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
AU-2003230829-A1	Triazole derivatives as tachykinin receptor antagonists	20020426

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[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
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Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
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Iodonitrotetrazolium chloride

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.983554
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.983554
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4