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Nickel Selenide
CAS: 1314-05-2 | NiSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1314-05-2
Molecular Formula:
NiSe
Molecular Weight:
137.653 g/mol
Names and Synonyms:
Nickel Selenide
NiSe
NSC 378342
Nickel monoselenide
Nickel selenide
Nickel selenide (NiSe)
Identifiers:
SMILES:
[Ni].[Se]
InChI:
InChI=1S/Ni.Se
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.653 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.8518642 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.38330000000000003 | RDKit |
| molecular_mass | 137.65 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nickel_selenide None | Legacy Database |
| cas-canonical-smile | [Ni]=[Se] None | Legacy Database |
| cas-inchi | InChI=1S/Ni.Se None | Legacy Database |
| cas-inchi-key | InChIKey=QHASIAZYSXZCGO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Nickel selenide None | Legacy Database |
| wikipedia-name | Nickel selenide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |
