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Methylmagnesium Bromide
CAS: 75-16-1 | CH3BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-16-1
Molecular Formula:
CH3BrMg
Molecular Weight:
119.244 g/mol
Names and Synonyms:
Methylmagnesium Bromide
Bromomethylmagnesium
Methylmagnesium bromide
Magnesium, bromomethyl-
Identifiers:
SMILES:
[Br-].[CH3].[Mg+]
InChI:
InChI=1S/CH3.BrH.Mg/h1H3;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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 119.24 g/mol | Legacy Database |
| cas-canonical-smile | Br[Mg]C None | Legacy Database |
| cas-inchi | InChI=1S/CH3.BrH.Mg/h1H3;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=AVFUHBJCUUTGCD-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Methylmagnesium bromide None | Legacy Database |
| LogP | -2.9265099999999995 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.244 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.926853896 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.168000000000001 | RDKit |
