chempirical

1-Propynylmagnesium bromide

C3H3BrMgCAS 16466-97-0143.27 g/mol

Open in Covalent MOL file
Br−Mg+

Properties

Molecular formula
C3H3BrMg
Molar mass
143.27 g/mol
Exact mass
141.9269 Da
Melting point
53.5 °C
logP
-2.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
16466-97-0
SMILES
[Br-].[C]#CC.[Mg+]
InChIKey
YVJBCTFVENNIOV-UHFFFAOYSA-M
InChI
InChI=1S/C3H3.BrH.Mg/c1-3-2;;/h1H3;1H;/q;;+1/p-1

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Names and synonyms

3 names
  • Magnesium, bromo-1-propynyl-
  • Bromo-1-propynylmagnesium
  • 1-Propyn-1-ylmagnesium bromide

Work with 1-Propynylmagnesium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropenylmagnesium bromide13291-18-443 % similar Ethynylmagnesium bromide4301-14-835 % similar Bromo(1-methylethyl)magnesium920-39-835 % similar Ethylmagnesium bromide925-90-635 % similar Methylmagnesium bromide75-16-133 % similar Propylmagnesium bromide927-77-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook