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Dihydrogen Hexachloroiridate
CAS: 16941-92-7 | H2Cl6Ir
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16941-92-7
Molecular Formula:
H2Cl6Ir
Molecular Mass:
406.95 g/mol
Names and Synonyms:
Dihydrogen Hexachloroiridate
Iridate(2-), hexachloro-, hydrogen (1:2), (OC-6-11)-
Iridate(2-), hexachloro-, dihydrogen
Iridate(2-), hexachloro-, dihydrogen, (OC-6-11)-
Hydrogen hexachloroiridate(IV)
Dihydrogen hexachloroiridate(2-)
Hexachloroiridic acid
Chloroiridic acid
Chloroiridic acid (H2IrCl6)
Dihydrogen hexachloroiridate
Iridium chloride (H2IrCl6)
Hexachlorodihydroiridium
Identifiers:
SMILES:
Cl.Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+4]
InChI:
InChI=1S/6ClH.Ir/h6*1H;/q;;;;;;+4/p-4
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 | 406.95 g/mol | CAS Common Chemistry |
| 406.951 g/mol | RDKit | |
| 404.791692544 g/mol | RDKit | |
| Canonical SMILES | [H+].[Cl-][Ir+4]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-] | CAS Common Chemistry |
| InChI | InChI=1S/6ClH.Ir/h6*1H;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=PVMMMVHZRGMXED-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Dihydrogen hexachloroiridate | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -11.1429 | RDKit |
| Molar Refractivity | 14.495999999999999 | RDKit |
