2-(5-Chloro-1H-1,2,4-triazol-1-yl)butanoic acid - CAS 1795480-08-8

Catalog:	BB052480
Product Name:	2-(5-Chloro-1H-1,2,4-triazol-1-yl)butanoic acid
CAS:	1795480-08-8
Synonyms:	2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoicacid

Technical Data

Computed Properties

IUPAC Name:	2-(5-chloro-1,2,4-triazol-1-yl)butanoic acid
Molecular Weight:	189.60
Molecular Formula:	C6H8ClN3O2
Canonical SMILES:	CCC(C(=O)O)N1C(=NC=N1)Cl
InChI:	InChI=1S/C6H8ClN3O2/c1-2-4(5(11)12)10-6(7)8-3-9-10/h3-4H,2H2,1H3,(H,11,12)
InChI Key:	DCLSNINBWBKJAX-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[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
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[4185-62-0]
2-Bromo-1-nitronaphthalene

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Triazole/Tetrazole

[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
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.0305042
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.0305042
Rotatable Bond Count:	3
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6