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2-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid

2-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid - CAS 1790365-80-8

Catalog:	BB052476
Product Name:	2-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid
CAS:	1790365-80-8
Synonyms:	2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoicacid

Technical Data

Computed Properties

IUPAC Name:	2-(5-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)9-5(6)7-2-8-9/h2-3H,1H3,(H,10,11)
InChI Key:	DAKQYJMZZGXOCY-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Halides

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[2114-39-8]
2-Bromo-1-phenylpropane

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[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
[146-68-9]
Iodonitrotetrazolium chloride

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