Back to Search
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 Weight:
81.918101778 g/mol
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 81.92 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Deuterium_bromide None | Legacy Database |
| cas-canonical-smile | Br None | Legacy Database |
| cas-inchi | InChI=1S/BrH/h1H/i/hD None | Legacy Database |
| cas-inchi-key | InChIKey=CPELXLSAUQHCOX-DYCDLGHISA-N None | Legacy Database |
| cas-name | Hydrobromic acid-d None | Legacy Database |
| wikipedia-name | Deuterium bromide None | Legacy Database |
| LogP | 0.5779000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 81.918101778 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 80.932438878 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.322 | RDKit |