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

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Triazole/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
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[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
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate

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