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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
Names and Synonyms:
Deuterium Bromide
Hydrobromic acid-d
Deuterium bromide
Hydrogen-d bromide
Deuterium monobromide
Deuteriobromic acid
Deuterium bromide (DBr)
Hydrogen bromide-d
Identifiers:
SMILES:
[2H]Br
InChI:
InChI=1S/BrH/h1H/i/hD
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 |
|---|---|---|
| Physical Properties | 81.92 g/mol | Legacy Database |
| https://en.wikipedia.org/wiki/Deuterium_bromide | Legacy Database | |
| Br | Legacy Database | |
| InChI=1S/BrH/h1H/i/hD | Legacy Database | |
| InChIKey=CPELXLSAUQHCOX-DYCDLGHISA-N | Legacy Database | |
| Hydrobromic acid-d | Legacy Database | |
| Deuterium bromide | Legacy Database | |
| 0.5779000000000001 | RDKit | |
| Molecular | 81.918101778 g/mol | RDKit |
| Exact | 80.932438878 g/mol | RDKit |
| Heavy | 1 count | RDKit |
| Hydrogen | 0 count | RDKit |
| 0 count | RDKit | |
| Rotatable | 0 count | RDKit |
| Aromatic | 0 count | RDKit |
| Topological | 0.0 Ų | RDKit |
| Molar | 10.322 | RDKit |
