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Calcium Tetrafluoroborate
CAS: 15978-68-4 | BCaF4+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15978-68-4
Molecular Formula:
BCaF4+
Molecular Weight:
126.88200000000002 g/mol
Names and Synonyms:
Calcium Tetrafluoroborate
Calcium fluoroborate
Calcium fluoroborate (Ca(BF4)2)
Borate(1-), tetrafluoro-, calcium (2:1)
Borate(1-), tetrafluoro-, calcium
Calcium tetrafluoroborate
Calcium fluoborate
Calcium tetrafluoroborate (Ca(BF4)2)
Identifiers:
SMILES:
F[B-](F)(F)F.[Ca+2]
InChI:
InChI=1S/BF4.Ca/c2-1(3,4)5;/q-1;+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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 126.88 g/mol | Legacy Database |
| cas-canonical-smile | [Ca+2].[F-][B+3]([F-])([F-])[F-] None | Legacy Database |
| cas-inchi | InChI=1S/BF4.Ca/c2-1(3,4)5;/q-1;+2 None | Legacy Database |
| cas-inchi-key | InChIKey=ZMNBUHGLQXMNBX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Calcium tetrafluoroborate None | Legacy Database |
| LogP | 0.9192 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 126.88200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 126.96496068009 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.940000000000001 | RDKit |
