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Lithium Bromide (Libr), Hydrate
CAS: 85017-82-9 | H2BrLiO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85017-82-9
Molecular Formula:
H2BrLiO
Molecular Mass:
104.86 g/mol
Names and Synonyms:
Lithium Bromide (Libr), Hydrate
Lithium bromide (LiBr), hydrate
Identifiers:
SMILES:
O.[Br-].[Li+]
InChI:
InChI=1S/BrH.Li.H2O/h1H;;1H2/q;+1;/p-1
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 |
|---|---|---|
| Molecular Mass | 104.86 g/mol | CAS Common Chemistry |
| 103.94490633400001 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 3.6138 | RDKit |
