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Scandium Fluoride
CAS: 13709-47-2 | F3Sc
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13709-47-2
Molecular Formula:
F3Sc
Molecular Weight:
101.95 g/mol
Names and Synonyms:
Scandium Fluoride
Scandium fluoride
Scandium trifluoride (ScF3)
Scandium trifluoride
Scandium fluoride (ScF3)
Identifiers:
SMILES:
[F-].[F-].[F-].[Sc+3]
InChI:
InChI=1S/3FH.Sc/h3*1H;/q;;;+3/p-3
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 |
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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 | 101.95 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.95112156 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | -8.990499999999999 | RDKit |
| molecular_mass | 101.95 g/mol | Legacy Database |
| density | 2.52 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Scandium_fluoride None | Legacy Database |
| cas-canonical-smile | F[Sc](F)F None | Legacy Database |
| cas-density | 2.52 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/3FH.Sc/h3*1H;/q;;;+3/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=OEKDNFRQVZLFBZ-UHFFFAOYSA-K None | Legacy Database |
| cas-melting-point | 1530 °C None | Legacy Database |
| cas-name | Scandium fluoride None | Legacy Database |
| wikipedia-name | Scandium fluoride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |
