Ethyl 4-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate - CAS 1823402-90-9

Catalog:	BB050652
Product Name:	Ethyl 4-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
CAS:	1823402-90-9
Synonyms:	1H-1,2,4-Triazole-1-butanoic acid, 5-bromo-, ethyl ester; 4-(5-Bromo-[1,2,4]triazol-1-yl)-butyric acid ethyl ester

Technical Data

Computed Properties

IUPAC Name:	ethyl 4-(5-bromo-1,2,4-triazol-1-yl)butanoate
Molecular Weight:	262.10
Molecular Formula:	C8H12BrN3O2
Canonical SMILES:	CCOC(=O)CCCN1C(=NC=N1)Br
InChI:	InChI=1S/C8H12BrN3O2/c1-2-14-7(13)4-3-5-12-8(9)10-6-11-12/h6H,2-5H2,1H3
InChI Key:	OFRFVPWZNHLNBN-UHFFFAOYSA-N
Boiling Point:	372.5±44.0°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
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[4860-03-1]
1-Chlorohexadecane
[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
[1243250-13-6]
Ethyl (3-bromo-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:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.01129
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.01129
Rotatable Bond Count:	6
Topological Polar Surface Area:	57
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5