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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 Mass:
126.88 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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.88 g/mol | CAS Common Chemistry |
| 126.88200000000002 g/mol | RDKit | |
| 126.96496068009 g/mol | RDKit | |
| Canonical SMILES | [Ca+2].[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/BF4.Ca/c2-1(3,4)5;/q-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMNBUHGLQXMNBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium tetrafluoroborate | 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 | 0.0 Ų | RDKit |
| LogP | 0.9192 | RDKit |
| Molar Refractivity | 15.940000000000001 | RDKit |
