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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
Names and Synonyms:
Thallium(I) Oxide
Thallium oxide (Tl2O)
Dithallium oxide
Thallium oxide
Thallous oxide
Thallium(1+) oxide
Identifiers:
SMILES:
[O].[Tl].[Tl]
InChI:
InChI=1S/O.2Tl
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 | 424.77 g/mol | CAS Common Chemistry |
| 424.765 g/mol | RDKit | |
| 425.94376962 g/mol | RDKit | |
| 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 |
| Thallium(I) oxide | 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 |
| Molar Refractivity | 12.194499999999998 | RDKit |
