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Molecule
Thallium(I) Oxide
CAS: 1314-12-1 · OTl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1314-12-1
- Molecular Formula
- OTl2
- Molecular Mass
- 424.77 g/mol
Identifiers
CAS Registry Number
1314-12-1
SMILES
[O].[Tl].[Tl]
InChI Key
KFAIYPBIFILLEZ-UHFFFAOYSA-N
InChI
InChI=1S/O.2Tl
Names and Synonyms
- Thallium(I) Oxide Common Name
- Thallium oxide (Tl2O) Synonym
- Dithallium oxide Synonym
- Thallium oxide Synonym
- Thallous oxide Synonym
- Thallium(1+) oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 424.77 g/mol | CAS Common Chemistry |
| 425.94376962 g/mol | RDKit | |
| 424.765 g/mol | RDKit | |
| 428.791 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thallium(I)_oxide | CAS Common Chemistry |
| Canonical SMILES | [Tl]O[Tl] | CAS Common Chemistry |
| InChI | InChI=1S/O.2Tl | CAS Common Chemistry |
| InChI Key | InChIKey=KFAIYPBIFILLEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Thallium oxide (Tl2O) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.8804000000000001 | RDKit |
| -0.8804 | RDKit | |
| Molar Refractivity | 12.194499999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 424.765 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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MW = 424.77 g/mol. Edit any field — others recompute live.
