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Molecule
Strontium Bromide (Srbr2), Hexahydrate
CAS: 7789-53-9 · H12Br2O6Sr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7789-53-9
- Molecular Formula
- H12Br2O6Sr
- Molecular Mass
- 355.52 g/mol
Identifiers
CAS Registry Number
7789-53-9
SMILES
O.O.O.O.O.O.[Br-].[Br-].[Sr+2]
InChI Key
FLMJUJXBFKFYOZ-UHFFFAOYSA-L
InChI
InChI=1S/2BrH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2
Names and Synonyms
- Strontium Bromide (Srbr2), Hexahydrate Systematic Name
- Strontium bromide (SrBr2), hexahydrate Synonym
- Strontium bromide, hexahydrate Synonym
- Strontium dibromide hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 355.52 g/mol | CAS Common Chemistry |
| 355.51800000000003 g/mol | RDKit | |
| 355.518 g/mol | RDKit | |
| 359.55 g/mol | chempirical lib | |
| Canonical SMILES | Br[Sr]Br.O | CAS Common Chemistry |
| InChI | InChI=1S/2BrH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=FLMJUJXBFKFYOZ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Strontium bromide (SrBr2), 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 | 353.805674404 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 355.52 g/mol. Edit any field — others recompute live.
