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Cobalt(Ii) Cyanide
CAS: 542-84-7 | C2CoN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
542-84-7
Molecular Formula:
C2CoN2
Molecular Weight:
110.969 g/mol
Names and Synonyms:
Cobalt(Ii) Cyanide
Cobalt dicyanide
Cobaltous cyanide
Cobalt cyanide (Co(CN)2)
Identifiers:
SMILES:
[C]#N.[C]#N.[Co]
InChI:
InChI=1S/2CN.Co/c2*1-2;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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20
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| 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 | 110.97 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cobalt(II)_cyanide None | Legacy Database |
| cas-canonical-smile | N#C[Co]C#N None | Legacy Database |
| cas-inchi | InChI=1S/2CN.Co/c2*1-2; None | Legacy Database |
| cas-inchi-key | InChIKey=XAWSBNBFMQAZCE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cobalt cyanide (Co(CN)2) None | Legacy Database |
| wikipedia-name | Cobalt(II) cyanide None | Legacy Database |
| LogP | 0.19024 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.969 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.939343 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 47.58 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 9.936 | RDKit |
