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Molecule
Magnesium, Bromo(1-Methylethenyl)-
CAS: 13291-18-4 · C3H5BrMg
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13291-18-4
- Molecular Formula
- C3H5BrMg
- Molecular Mass
- 145.28 g/mol
Identifiers
CAS Registry Number
13291-18-4
SMILES
C=[C]C.[Br-].[Mg+]
InChI Key
LFTYALBVGVNGLI-UHFFFAOYSA-M
InChI
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1
Names and Synonyms
- Magnesium, Bromo(1-Methylethenyl)- Synonym
- Magnesium, bromo(1-methylethenyl)- Synonym
- Magnesium, bromoisopropenyl- Synonym
- Isopropenylmagnesium bromide Synonym
- α-Methylvinylmagnesium bromide Synonym
- 1-Methylvinylmagnesium bromide Synonym
- 1-Propen-2-ylmagnesium bromide Synonym
- Bromo(isopropenyl)magnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.28 g/mol | CAS Common Chemistry |
| 145.28199999999998 g/mol | RDKit | |
| 145.282 g/mol | RDKit | |
| 149.314 g/mol | chempirical lib | |
| Canonical SMILES | Br[Mg]C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=LFTYALBVGVNGLI-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 102-104 °C | CAS Common Chemistry |
| Name | Magnesium, bromo(1-methylethenyl)- | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -2.381309999999999 | RDKit |
| -2.3813 | RDKit | |
| Molar Refractivity | 20.297999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 143.94250396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 145.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5BrMg.
