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Magnesium Bromide (Mgbr2), Hexahydrate
CAS: 13446-53-2 | H12Br2MgO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13446-53-2
Molecular Formula:
H12Br2MgO6
Molecular Mass:
292.20 g/mol
Names and Synonyms:
Magnesium Bromide (Mgbr2), Hexahydrate
Magnesium bromide (MgBr2), hexahydrate
Magnesium bromide, hexahydrate
Magnesium dibromide hexahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.[Br-].[Br-].[Mg+2]
InChI:
InChI=1S/2BrH.Mg.6H2O/h2*1H;;6*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 | 292.20 g/mol | CAS Common Chemistry |
| 292.20300000000003 g/mol | RDKit | |
| 289.88510400399997 g/mol | RDKit | |
| Canonical SMILES | Br[Mg]Br.O | CAS Common Chemistry |
| InChI | InChI=1S/2BrH.Mg.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=LGLXXNHIGIJYQQ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Magnesium bromide (MgBr2), hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -11.320999999999996 | RDKit |
| Molar Refractivity | 27.436799999999995 | RDKit |
