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Molecule
Iridate(3-), Hexachloro-, Potassium (1:3), (Oc-6-11)-
CAS: 14024-41-0 · Cl6IrK3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14024-41-0
- Molecular Formula
- Cl6IrK3
- Molecular Mass
- 522.23 g/mol
Identifiers
CAS Registry Number
14024-41-0
SMILES
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[K+].[K+].[K+]
InChI Key
NZKWZUOYGAKOQC-UHFFFAOYSA-H
InChI
InChI=1S/6ClH.Ir.3K/h6*1H;;;;/q;;;;;;+3;3*+1/p-6
Names and Synonyms
- Iridate(3-), Hexachloro-, Potassium (1:3), (Oc-6-11)- Synonym
- Iridate(3-), hexachloro-, potassium (1:3), (OC-6-11)- Synonym
- Iridate(3-), hexachloro-, tripotassium Synonym
- Iridate(3-), hexachloro-, tripotassium, (OC-6-11)- Synonym
- Potassium hexachloroiridate(III) Synonym
- Potassium chloroiridate(III) Synonym
- Tripotassium hexachloroiridate(3-) Synonym
- Tripotassium iridium hexachloride Synonym
- Potassium iridium chloride (K3IrCl6) Synonym
- Iridium potassium chloride (IrK3Cl6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 522.23 g/mol | CAS Common Chemistry |
| 522.229 g/mol | RDKit | |
| 534.307 g/mol | chempirical lib | |
| Canonical SMILES | [K+].[Cl-][Ir+3]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-] | CAS Common Chemistry |
| InChI | InChI=1S/6ClH.Ir.3K/h6*1H;;;;/q;;;;;;+3;3*+1/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=NZKWZUOYGAKOQC-UHFFFAOYSA-H | CAS Common Chemistry |
| Name | Iridate(3-), hexachloro-, potassium (1:3), (OC-6-11)- | 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 | 0.0 Ų | RDKit |
| LogP | -26.966499999999996 | RDKit |
| -26.9665 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 519.6671625200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 522.23 g/mol. Edit any field — others recompute live.
