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Magnesium Bromate
CAS: 14519-17-6 | HBrMgO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14519-17-6
Molecular Formula:
HBrMgO3
Molecular Weight:
153.214 g/mol
Names and Synonyms:
Magnesium Bromate
Bromic acid, magnesium salt
Magnesium bromate
Identifiers:
SMILES:
[Mg].[O-][Br+2]([O-])O
InChI:
InChI=1S/BrHO3.Mg/c2-1(3)4;/h(H,2,3,4);
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.21 g/mol | Legacy Database |
| cas-canonical-smile | [Mg].O=Br(=O)O | Legacy Database | |
| cas-inchi | InChI=1S/BrHO3.Mg/c2-1(3)4;/h(H,2,3,4); | Legacy Database | |
| cas-inchi-key | InChIKey=CYKBZAMXRANIRJ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Magnesium bromate | Legacy Database | |
| LogP | -3.3158 | RDKit | |
| Molecular | Molecular Weight | 153.214 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.895947692 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 66.35 Ų | RDKit |
| Molar | Molar Refractivity | 7.972799999999999 | RDKit |
