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3-Bromo-1-(propan-2-yl)-1H-1,2,4-triazole

3-Bromo-1-(propan-2-yl)-1H-1,2,4-triazole - CAS 1823441-99-1

Catalog:	BB052478
Product Name:	3-Bromo-1-(propan-2-yl)-1H-1,2,4-triazole
CAS:	1823441-99-1
Synonyms:	3-Bromo-1-isopropyl-1H-1,2,4-triazole

Technical Data

Computed Properties

IUPAC Name:	3-bromo-1-propan-2-yl-1,2,4-triazole
Molecular Weight:	190.04
Molecular Formula:	C5H8BrN3
Canonical SMILES:	CC(C)N1C=NC(=N1)Br
InChI:	InChI=1S/C5H8BrN3/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3
InChI Key:	QQNOHJDCGBAVNJ-UHFFFAOYSA-N

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Related Functional Groups

Halides

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[4185-62-0]
2-Bromo-1-nitronaphthalene

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Triazole/Tetrazole

[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[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
[138169-43-4]
MTS Reagent

Complexity:	96.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.99016
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.99016
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7