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Molecule
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
Identifiers
CAS Registry Number
13446-53-2
SMILES
O.O.O.O.O.O.[Br-].[Br-].[Mg+2]
InChI Key
LGLXXNHIGIJYQQ-UHFFFAOYSA-L
InChI
InChI=1S/2BrH.Mg.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2
Names and Synonyms
- Magnesium Bromide (Mgbr2), Hexahydrate Synonym
- Magnesium bromide (MgBr2), hexahydrate Synonym
- Magnesium bromide, hexahydrate Synonym
- Magnesium dibromide hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.20 g/mol | CAS Common Chemistry |
| 292.20300000000003 g/mol | RDKit | |
| 292.203 g/mol | RDKit | |
| 296.235 g/mol | chempirical lib | |
| 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 |
| -11.321 | RDKit | |
| Molar Refractivity | 27.436799999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 289.88510400399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 292.20 g/mol. Edit any field — others recompute live.
