3-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid - CAS 1554660-78-4

Catalog:	BB050781
Product Name:	3-(5-Chloro-1H-1,2,4-triazol-1-yl)propanoic acid
CAS:	1554660-78-4
Synonyms:	1H-1,2,4-Triazole-1-propanoic acid, 5-chloro-; 3-(5-Chloro-[1,2,4]triazol-1-yl)-propionic acid

Technical Data

Computed Properties

IUPAC Name:	3-(5-chloro-1,2,4-triazol-1-yl)propanoic acid
Molecular Weight:	175.57
Molecular Formula:	C5H6ClN3O2
Canonical SMILES:	C1=NN(C(=N1)Cl)CCC(=O)O
InChI:	InChI=1S/C5H6ClN3O2/c6-5-7-3-8-9(5)2-1-4(10)11/h3H,1-2H2,(H,10,11)
InChI Key:	GCVFRRHZRBEEJT-UHFFFAOYSA-N
Boiling Point:	421.0±47.0°C at 760 mmHg
Purity:	≥95%
Density:	1.6±0.1 g/cm3

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Halides

[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]
1-Chlorooctane

Triazole/Tetrazole

[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate
[483993-77-7]
N-(2-Ethoxyphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid

Complexity:	155
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:	3
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4