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Nickel Bromide (Nibr2), Trihydrate
CAS: 7789-49-3 | H6Br2NiO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7789-49-3
Molecular Formula:
H6Br2NiO3
Molecular Mass:
272.55 g/mol
Names and Synonyms:
Nickel Bromide (Nibr2), Trihydrate
Nickel bromide (NiBr2), trihydrate
Nickel dibromide trihydrate
Identifiers:
SMILES:
O.O.O.[Br-].[Br-].[Ni+2]
InChI:
InChI=1S/2BrH.Ni.3H2O/h2*1H;;3*1H2/q;;+2;;;/p-2
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 | 272.55 g/mol | CAS Common Chemistry |
| 272.546 g/mol | RDKit | |
| 269.803711152 g/mol | RDKit | |
| Canonical SMILES | Br[Ni]Br.O | CAS Common Chemistry |
| InChI | InChI=1S/2BrH.Ni.3H2O/h2*1H;;3*1H2/q;;+2;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=UQPSGBZICXWIAG-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Nickel bromide (NiBr2), trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.5 Ų | RDKit |
| LogP | -8.468599999999999 | RDKit |
| Molar Refractivity | 10.841399999999998 | RDKit |
