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Molecule
Chloric Acid, Thallium(1+) Salt
CAS: 13453-30-0 · HClO3Tl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13453-30-0
- Molecular Formula
- HClO3Tl
- Molecular Mass
- 288.841 g/mol
Identifiers
CAS Registry Number
13453-30-0
SMILES
[O-][Cl+2]([O-])O.[Tl]
InChI Key
LDHUHZVKQUHBKO-UHFFFAOYSA-N
InChI
InChI=1S/ClHO3.Tl/c2-1(3)4;/h(H,2,3,4);
Names and Synonyms
- Chloric Acid, Thallium(1+) Salt Synonym
- Chloric acid, thallium(1+) salt Synonym
- Thallium chlorate Synonym
- Thallium chlorate (TlClO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Tl].O=Cl(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/ClHO3.Tl/c2-1(3)4;/h(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=LDHUHZVKQUHBKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chloric acid, thallium(1+) salt | CAS Common Chemistry |
| Molecular Mass | 288.841 g/mol | RDKit |
| 288.935849072 g/mol | RDKit | |
| 289.843 g/mol | chempirical lib | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.35 Ų | RDKit |
| LogP | -3.3158 | RDKit |
| Molar Refractivity | 7.972799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 288.84 g/mol | CAS Common Chemistry |
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 = 288.84 g/mol. Edit any field — others recompute live.
