Back to Search
Molecule
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
Identifiers
CAS Registry Number
7789-49-3
SMILES
O.O.O.[Br-].[Br-].[Ni+2]
InChI Key
UQPSGBZICXWIAG-UHFFFAOYSA-L
InChI
InChI=1S/2BrH.Ni.3H2O/h2*1H;;3*1H2/q;;+2;;;/p-2
Names and Synonyms
- Nickel Bromide (Nibr2), Trihydrate Systematic Name
- Nickel bromide (NiBr2), trihydrate Synonym
- Nickel dibromide trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.55 g/mol | CAS Common Chemistry |
| 272.546 g/mol | RDKit | |
| 276.578 g/mol | chempirical lib | |
| 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 |
| -8.4686 | RDKit | |
| Molar Refractivity | 10.841399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 269.803711152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 272.55 g/mol. Edit any field — others recompute live.
