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Magnesium, Bromo(1-Methylethenyl)-
CAS: 13291-18-4 | C3H5BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13291-18-4
Molecular Formula:
C3H5BrMg
Molecular Weight:
145.28199999999998 g/mol
Names and Synonyms:
Magnesium, Bromo(1-Methylethenyl)-
Magnesium, bromo(1-methylethenyl)-
Magnesium, bromoisopropenyl-
Isopropenylmagnesium bromide
α-Methylvinylmagnesium bromide
1-Methylvinylmagnesium bromide
1-Propen-2-ylmagnesium bromide
Bromo(isopropenyl)magnesium
Identifiers:
SMILES:
C=[C]C.[Br-].[Mg+]
InChI:
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.28199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.94250396 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.381309999999999 | RDKit |
| cas-inchi-key | InChIKey=LFTYALBVGVNGLI-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 102-104 °C None | Legacy Database |
| cas-name | Magnesium, bromo(1-methylethenyl)- None | Legacy Database |
| molecular_mass | 145.28 g/mol | Legacy Database |
| cas-canonical-smile | Br[Mg]C(=C)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.297999999999995 | RDKit |
