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Lanthanum Triflate
CAS: 52093-26-2 | CHF3LaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52093-26-2
Molecular Formula:
CHF3LaO3S
Molecular Mass:
288.98 g/mol
Names and Synonyms:
Lanthanum Triflate
Methanesulfonic acid, 1,1,1-trifluoro-, lanthanum(3+) salt (3:1)
Lanthanum(III) triflate
Lanthanum trifluoromethanesulfonate
Lanthanum(3+) triflate
Lanthanum tris(trifluoromethanesulfonate)
Tris(trifluoromethanesulfonato)lanthanum
Trifluoromethanesulfonic acid lanthanum(3+) salt
Methanesulfonic acid, trifluoro-, lanthanum(3+) salt
Lanthanum(3+) trifluoromethanesulfonate
Lanthanum triflate
Lanthanum(III) trifluoromethanesulfonate
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F.[La]
InChI:
InChI=1S/CHF3O3S.La/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.98 g/mol | CAS Common Chemistry |
| 288.98299999999995 g/mol | RDKit | |
| 288.866202852 g/mol | RDKit | |
| 288.983 g/mol | RDKit | |
| 291.999 g/mol | chempirical lib | |
| Canonical SMILES | [La].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.La/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=NAPHXISIYHAKAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lanthanum triflate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 3 | chempirical lib | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| 1 | chempirical lib | |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| 86.37 Ų | chempirical lib | |
| LogP | 0.3940000000000002 | RDKit |
| 0.394 | RDKit | |
| 1.6 | chempirical lib | |
| Molar Refractivity | 17.603600000000004 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
