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Molecule
Deuterium Bromide
CAS: 13536-59-9 · HBr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13536-59-9
- Molecular Formula
- HBr
- Molecular Mass
- 81.92 g/mol
Identifiers
CAS Registry Number
13536-59-9
SMILES
[2H]Br
InChI Key
CPELXLSAUQHCOX-DYCDLGHISA-N
InChI
InChI=1S/BrH/h1H/i/hD
Names and Synonyms
- Deuterium Bromide Synonym
- Hydrobromic acid-d Synonym
- Deuterium bromide Synonym
- Hydrogen-d bromide Synonym
- Deuterium monobromide Synonym
- Deuteriobromic acid Synonym
- Deuterium bromide (DBr) Synonym
- Hydrogen bromide-d Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 81.92 g/mol | CAS Common Chemistry |
| 81.918101778 g/mol | RDKit | |
| 80.932438878 g/mol | RDKit | |
| 81.9181 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterium_bromide | CAS Common Chemistry |
| Canonical SMILES | Br | CAS Common Chemistry |
| InChI | InChI=1S/BrH/h1H/i/hD | CAS Common Chemistry |
| InChI Key | InChIKey=CPELXLSAUQHCOX-DYCDLGHISA-N | CAS Common Chemistry |
| Name | Hydrobromic acid-d | CAS Common Chemistry |
| Heavy Atom Count | 1 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.5779000000000001 | RDKit |
| 0.5779 | RDKit | |
| Molar Refractivity | 10.322 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 80.912 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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80
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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 = 81.92 g/mol. Edit any field — others recompute live.
