4-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid - CAS 1798723-23-5

Catalog:	BB050645
Product Name:	4-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid
CAS:	1798723-23-5
Synonyms:	4-(5-Bromo-[1,2,4]triazol-1-yl)-butyric acid; 1H-1,2,4-Triazole-1-butanoic acid, 5-bromo-

Technical Data

Computed Properties

IUPAC Name:	4-(5-bromo-1,2,4-triazol-1-yl)butanoic acid
Molecular Weight:	234.05
Molecular Formula:	C6H8BrN3O2
Canonical SMILES:	C1=NN(C(=N1)Br)CCCC(=O)O
InChI:	InChI=1S/C6H8BrN3O2/c7-6-8-4-9-10(6)3-1-2-5(11)12/h4H,1-3H2,(H,11,12)
InChI Key:	QQKABLFZOWFBTH-UHFFFAOYSA-N
Boiling Point:	449.8±47.0°C at 760 mmHg
Purity:	≥95%
Density:	1.8±0.1 g/cm3

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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
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]
1-Chlorooctane
[4185-62-0]
2-Bromo-1-nitronaphthalene
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[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:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.97999
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.97999
Rotatable Bond Count:	4
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8