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Copper Chloride Dihydrate
CAS: 10125-13-0 | H4Cl2CuO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10125-13-0
Molecular Formula:
H4Cl2CuO2
Molecular Mass:
170.48 g/mol
Names and Synonyms:
Copper Chloride Dihydrate
Copper chloride (CuCl2), dihydrate
Cupric chloride dihydrate
Copper dichloride dihydrate
Copper chloride (CuCl2.2H2O)
Copper chloride dihydrate
Copper(II) chloride dihydrate
Copper(2+) dichloride dihydrate
Copper chloride (CuCl2), hydrate (1:2)
Identifiers:
SMILES:
O.O.[Cl-].[Cl-].[Cu+2]
InChI:
InChI=1S/2ClH.Cu.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2
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 | 170.48 g/mol | CAS Common Chemistry |
| 170.482 g/mol | RDKit | |
| 168.888432228 g/mol | RDKit | |
| Canonical SMILES | Cl[Cu]Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Cu.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=MPTQRFCYZCXJFQ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Copper chloride dihydrate | 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 | 63.0 Ų | RDKit |
| LogP | -7.6438999999999995 | RDKit |
| Molar Refractivity | 7.227599999999999 | RDKit |
