Back to Search
Chlorocyclohexylmagnesium
CAS: 931-51-1 | C6H11ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
931-51-1
Molecular Formula:
C6H11ClMg
Molecular Weight:
142.912 g/mol
Names and Synonyms:
Chlorocyclohexylmagnesium
Magnesium, chlorocyclohexyl-
Chlorocyclohexylmagnesium
Cyclohexylmagnesium chloride
Identifiers:
SMILES:
[CH]1CCCCC1.[Cl-].[Mg+]
InChI:
InChI=1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;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 | 142.91 g/mol | Legacy Database |
| cas-canonical-smile | Cl[Mg]C1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=WMJMABVHDMRMJA-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Chlorocyclohexylmagnesium None | Legacy Database |
| LogP | -1.222009999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.912 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.039969732 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 | 33.13899999999999 | RDKit |
