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Molecule
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 Mass
- 137.653 g/mol
Identifiers
CAS Registry Number
1314-05-2
SMILES
[Ni].[Se]
InChI Key
QHASIAZYSXZCGO-UHFFFAOYSA-N
InChI
InChI=1S/Ni.Se
Names and Synonyms
- Nickel Selenide Common Name
- Nickel selenide (NiSe) Synonym
- Nickel selenide Synonym
- Nickel monoselenide Synonym
- NSC 378342 Synonym
- NiSe Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel_selenide | CAS Common Chemistry |
| Canonical SMILES | [Ni]=[Se] | CAS Common Chemistry |
| InChI | InChI=1S/Ni.Se | CAS Common Chemistry |
| InChI Key | InChIKey=QHASIAZYSXZCGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nickel selenide | CAS Common Chemistry |
| Molecular Mass | 137.653 g/mol | RDKit |
| 137.8518642 g/mol | RDKit | |
| 141.685 g/mol | chempirical lib | |
| Heavy Atom Count | 2 | 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 | -0.38330000000000003 | RDKit |
| -0.3833 | RDKit | |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.65 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 137.65 g/mol. Edit any field — others recompute live.
