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Molecule
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 Mass
- 86.80 g/mol
Identifiers
CAS Registry Number
3536-96-7
SMILES
[CH]=C.[Cl-].[Mg+]
InChI Key
NAFZXKWEUWVSAW-UHFFFAOYSA-M
InChI
InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q;;+1/p-1
Names and Synonyms
- Chloroethenylmagnesium Synonym
- Magnesium, chloroethenyl- Synonym
- Magnesium, chlorovinyl- Synonym
- Vinylmagnesium chloride Synonym
- Chloroethenylmagnesium Synonym
- Chlorovinylmagnesium Synonym
- Ethenylmagnesium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.80 g/mol | CAS Common Chemistry |
| 86.804 g/mol | RDKit | |
| 89.825 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Mg]C=C | CAS Common Chemistry |
| InChI | InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NAFZXKWEUWVSAW-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Chloroethenylmagnesium | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -2.7714099999999995 | RDKit |
| -2.7714 | RDKit | |
| Molar Refractivity | 15.681000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 85.97736947599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 86.80 g/mol. Edit any field — others recompute live.
