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Molecule
Bromide
CAS: 24959-67-9 · Br-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24959-67-9
- Molecular Formula
- Br-
- Molecular Mass
- 79.90 g/mol
Identifiers
CAS Registry Number
24959-67-9
SMILES
[Br-]
InChI Key
CPELXLSAUQHCOX-UHFFFAOYSA-M
InChI
InChI=1S/BrH/h1H/p-1
Names and Synonyms
- Bromide Common Name
- Bromide Synonym
- Bromine, ion (Br1-) Synonym
- Hydrobromic acid, ion(1-) Synonym
- Bromide ion Synonym
- Bromine ion(1-) Synonym
- Bromide anion Synonym
- Bromine ion Synonym
- Bromide(1-) Synonym
- Bromine(1-) Synonym
- Bromide ion (Br1-) Synonym
- Bromide ion(1-) Synonym
- Bromide (Br-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 79.90 g/mol | CAS Common Chemistry |
| 79.904 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromide | CAS Common Chemistry |
| Canonical SMILES | [Br-] | CAS Common Chemistry |
| InChI | InChI=1S/BrH/h1H/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Bromide | 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 | -2.996 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 78.91888567991 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 79.90 g/mol. Edit any field — others recompute live.
