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Molecule
Copper Chlorate
CAS: 26506-47-8 · HClCuO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26506-47-8
- Molecular Formula
- HClCuO3
- Molecular Mass
- 148.00 g/mol
Identifiers
CAS Registry Number
26506-47-8
SMILES
[Cu].[O-][Cl+2]([O-])O
InChI Key
QHZHHDPOQMHMEV-UHFFFAOYSA-N
InChI
InChI=1S/ClHO3.Cu/c2-1(3)4;/h(H,2,3,4);
Names and Synonyms
- Copper Chlorate Synonym
- Chloric acid, copper salt Synonym
- Copper chlorate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.00 g/mol | CAS Common Chemistry |
| 148.00400000000002 g/mol | RDKit | |
| 148.004 g/mol | RDKit | |
| 149.009 g/mol | chempirical lib | |
| Canonical SMILES | [Cu].O=Cl(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/ClHO3.Cu/c2-1(3)4;/h(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=QHZHHDPOQMHMEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper chlorate | CAS Common Chemistry |
| 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 | -2.9375 | RDKit |
| Molar Refractivity | 2.2188 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 146.891019072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 148.00 g/mol. Edit any field — others recompute live.
