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Allylmagnesium Bromide
CAS: 1730-25-2 | C3H5BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1730-25-2
Molecular Formula:
C3H5BrMg
Molecular Mass:
145.28 g/mol
Names and Synonyms:
Allylmagnesium Bromide
Magnesium, bromo-2-propenyl-
Magnesium, allylbromo-
Allylmagnesium bromide
Bromo-2-propenylmagnesium
Allylbromomagnesium
2-Propenylmagnesium bromide
(Prop-2-en-1-yl)magnesium bromide
Bromo(prop-2-en-1-yl)magnesium
Identifiers:
SMILES:
[Br-].[CH2]C=C.[Mg+]
InChI:
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.28 g/mol | CAS Common Chemistry |
| 145.28199999999998 g/mol | RDKit | |
| 143.94250396 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allylmagnesium_bromide | CAS Common Chemistry |
| Canonical SMILES | Br[Mg]CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FEMBXICCJNZMMC-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Allylmagnesium bromide | 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 | -2.370309999999999 | RDKit |
| Molar Refractivity | 21.307999999999993 | RDKit |
