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Molecule
Iron(Ii) Selenide
CAS: 1310-32-3 · FeSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1310-32-3
- Molecular Formula
- FeSe
- Molecular Mass
- 134.81 g/mol
Identifiers
CAS Registry Number
1310-32-3
SMILES
[Fe].[Se]
InChI Key
WALCGGIJOOWJIN-UHFFFAOYSA-N
InChI
InChI=1S/Fe.Se
Names and Synonyms
- Iron(Ii) Selenide Common Name
- Iron selenide (FeSe) Synonym
- Ferrous selenide Synonym
- Iron monoselenide Synonym
- NSC 378337 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.81 g/mol | CAS Common Chemistry |
| 135.8514588 g/mol | RDKit | |
| 134.805 g/mol | RDKit | |
| 138.837 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_selenide | CAS Common Chemistry |
| Canonical SMILES | [Fe]=[Se] | CAS Common Chemistry |
| InChI | InChI=1S/Fe.Se | CAS Common Chemistry |
| InChI Key | InChIKey=WALCGGIJOOWJIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1070 °C | CAS Common Chemistry |
| Name | Iron selenide (FeSe) | CAS Common Chemistry |
| Iron(II) selenide | CAS Common Chemistry | |
| 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 | 134.805 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 |
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200 ppm
180
160
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100
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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.
External Resources
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Quick conversion
MW = 134.81 g/mol. Edit any field — others recompute live.
