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Iridium Trichloride Hydrate
CAS: 14996-61-3 | H2Cl3IrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14996-61-3
Molecular Formula:
H2Cl3IrO
Molecular Mass:
316.59 g/mol
Names and Synonyms:
Iridium Trichloride Hydrate
Iridium chloride (IrCl3), hydrate
Iridium trichloride hydrate
Iridium(III) chloride hydrate
Identifiers:
SMILES:
O.[Cl-].[Cl-].[Cl-].[Ir+3]
InChI:
InChI=1S/3ClH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 316.59 g/mol | CAS Common Chemistry |
| 316.591 g/mol | RDKit | |
| 315.880049124 g/mol | RDKit | |
| Canonical SMILES | Cl[Ir](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=MJRFDVWKTFJAPF-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Iridium trichloride hydrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 31.5 Ų | RDKit |
| LogP | -9.815199999999999 | RDKit |
| Molar Refractivity | 3.6138 | RDKit |
