Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate - CAS 1823783-80-7

Name: Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB050648
Product Name:	Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
CAS:	1823783-80-7
Synonyms:	1H-1,2,4-Triazole-1-butanoic acid, 3-bromo-, ethyl ester; 4-(3-Bromo-[1,2,4]triazol-1-yl)-butyric acid ethyl ester

Technical Data

Computed Properties

IUPAC Name:	ethyl 4-(3-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)4-3-5-12-6-10-8(9)11-12/h6H,2-5H2,1H3
InChI Key:	VUHHFUGNKDFEFR-UHFFFAOYSA-N
Boiling Point:	372.5±44.0°C (Predicted)
Purity:	≥95%
Density:	1.55±0.1 g/cm3 (Predicted)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[13294-71-8]C4H7Br
2-Bromo-2-butene, mixture of cis and trans
[832740-55-3]C16H15ClO3
3-[(4-Chloro-2-methylphenoxy)methyl]-4-methoxybenzaldehyde
[832739-83-0]C13H12ClNO3S
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Triazole/Tetrazole

[86152-46-7]C6H10N4O2
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[106535-16-4]C5H7N3O2
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate
[1798723-20-2]C6H8BrN3O2
2-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid
[1798731-93-7]C5H6BrN3O2
2-(5-Bromo-1H-1,2,4-triazol-1-yl)propanoic acid
[832740-88-2]C8H6F2N4O
5-(4-Difluoromethoxy-phenyl)-2H-tetrazole
[494194-50-2]C9H8BrN3S
5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

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