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2-(3-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid

2-(3-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid - CAS 1798730-56-9

Catalog:	BB052475
Product Name:	2-(3-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid
CAS:	1798730-56-9
Synonyms:	2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoicacid

Technical Data

Computed Properties

IUPAC Name:	2-(3-chloro-1,2,4-triazol-1-yl)propanoic acid
Molecular Weight:	175.57
Molecular Formula:	C5H6ClN3O2
Canonical SMILES:	CC(C(=O)O)N1C=NC(=N1)Cl
InChI:	InChI=1S/C5H6ClN3O2/c1-3(4(10)11)9-2-7-5(6)8-9/h2-3H,1H3,(H,10,11)
InChI Key:	GSZTVLHCBSNHHJ-UHFFFAOYSA-N
Purity:	97%

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[452-76-6]
2,4-Difluorotoluene
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[88-60-8]
2-tert-Butyl-5-methylphenol

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0148541
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.0148541
Rotatable Bond Count:	2
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1