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Methanesulfonic Acid, 1,1,1-Trifluoro-, Erbium(3+) Salt (3:1)
CAS: 139177-64-3 | CHErF3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139177-64-3
Molecular Formula:
CHErF3O3S
Molecular Mass:
317.34 g/mol
Names and Synonyms:
Methanesulfonic Acid, 1,1,1-Trifluoro-, Erbium(3+) Salt (3:1)
Methanesulfonic acid, 1,1,1-trifluoro-, erbium(3+) salt (3:1)
Methanesulfonic acid, trifluoro-, erbium(3+) salt
Erbium triflate
Erbium(III) trifluoromethanesulfonate
Erbium(III) triflate
Erbium tris(trifluoromethanesulfonate)
Erbium(3+) triflate
Erbium trifluoromethanesulfonate
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F.[Er]
InChI:
InChI=1S/CHF3O3S.Er/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 | 317.34 g/mol | CAS Common Chemistry |
| 317.337 g/mol | RDKit | |
| 315.890142652 g/mol | RDKit | |
| Canonical SMILES | [Er].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.Er/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=FECRNHPJGAZUKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methanesulfonic acid, 1,1,1-trifluoro-, erbium(3+) salt (3:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | 0.3940000000000002 | RDKit |
| Molar Refractivity | 17.603600000000004 | RDKit |
