Back to Search
Cadmium Bromide, Tetrahydrate
CAS: 13464-92-1 | H8Br2CdO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13464-92-1
Molecular Formula:
H8Br2CdO4
Molecular Mass:
344.28 g/mol
Names and Synonyms:
Cadmium Bromide, Tetrahydrate
Cadmium bromide, tetrahydrate
Cadmium dibromide tetrahydrate
Identifiers:
SMILES:
O.O.O.O.[Br-].[Br-].[Cd+2]
InChI:
InChI=1S/2BrH.Cd.4H2O/h2*1H;;4*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 | 344.28 g/mol | CAS Common Chemistry |
| 343.782291436 g/mol | RDKit | |
| Canonical SMILES | Br[Cd]Br.O | CAS Common Chemistry |
| InChI | InChI=1S/2BrH.Cd.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PANYFCXNZSEXSU-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Cadmium bromide, tetrahydrate | 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 | 126.0 Ų | RDKit |
| LogP | -9.293299999999999 | RDKit |
| Molar Refractivity | 14.455199999999998 | RDKit |
