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Chloroethenylmagnesium
CAS: 3536-96-7 | C2H3ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3536-96-7
Molecular Formula:
C2H3ClMg
Molecular Weight:
86.804 g/mol
Names and Synonyms:
Chloroethenylmagnesium
Synonym
Magnesium, chloroethenyl-
Synonym
Magnesium, chlorovinyl-
Synonym
Vinylmagnesium chloride
Synonym
Chloroethenylmagnesium
Synonym
Chlorovinylmagnesium
Synonym
Ethenylmagnesium chloride
Synonym
Identifiers:
SMILES:
[CH]=C.[Cl-].[Mg+]
InChI:
InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.80 g/mol | Legacy Database |
| cas-canonical-smile | Cl[Mg]C=C None | Legacy Database |
| cas-inchi | InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=NAFZXKWEUWVSAW-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Chloroethenylmagnesium None | Legacy Database |
| LogP | -2.7714099999999995 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.804 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.97736947599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 15.681000000000001 | RDKit |