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Molecule
Lithium Bromide (Libr), Hydrate
CAS: 85017-82-9 · H2BrLiO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85017-82-9
- Molecular Formula
- H2BrLiO
- Molecular Mass
- 104.86 g/mol
Identifiers
CAS Registry Number
85017-82-9
SMILES
O.[Br-].[Li+]
InChI Key
IPLONMMJNGTUAI-UHFFFAOYSA-M
InChI
InChI=1S/BrH.Li.H2O/h1H;;1H2/q;+1;/p-1
Names and Synonyms
- Lithium Bromide (Libr), Hydrate Systematic Name
- Lithium bromide (LiBr), hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.86 g/mol | CAS Common Chemistry |
| 106.876 g/mol | chempirical lib | |
| Canonical SMILES | [Li]Br.O | CAS Common Chemistry |
| InChI | InChI=1S/BrH.Li.H2O/h1H;;1H2/q;+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=IPLONMMJNGTUAI-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Lithium bromide (LiBr), hydrate | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 31.5 Ų | RDKit |
| LogP | -6.816699999999999 | RDKit |
| -6.8167 | RDKit | |
| Molar Refractivity | 3.6138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 103.94490633400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 104.86 g/mol. Edit any field — others recompute live.
