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Molecule
Terbium Trichloride Hexahydrate
CAS: 13798-24-8 · H12Cl3O6Tb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13798-24-8
- Molecular Formula
- H12Cl3O6Tb
- Molecular Mass
- 373.37 g/mol
Identifiers
CAS Registry Number
13798-24-8
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Tb+3]
InChI Key
ULJUVCOAZNLCJZ-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.6H2O.Tb/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
Names and Synonyms
- Terbium Trichloride Hexahydrate Synonym
- Terbium chloride (TbCl3), hexahydrate Synonym
- Terbium trichloride hexahydrate Synonym
- Terbium chloride hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.37 g/mol | CAS Common Chemistry |
| 373.374 g/mol | RDKit | |
| 379.413 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Tb](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.6H2O.Tb/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=ULJUVCOAZNLCJZ-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Terbium trichloride hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -13.936199999999996 | RDKit |
| -13.9362 | RDKit | |
| Molar Refractivity | 21.682799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 371.895292944 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 |
|---|
200 ppm
180
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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 = 373.37 g/mol. Edit any field — others recompute live.
