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Molecule
Borate(1-), Tetrafluoro-, Indium(3+) (3:1)
CAS: 27765-48-6 · BF4In+2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 27765-48-6
- Molecular Formula
- BF4In+2
- Molecular Mass
- 201.622 g/mol
Identifiers
CAS Registry Number
27765-48-6
SMILES
F[B-](F)(F)F.[In+3]
InChI Key
YRZDFPDNDCDALV-UHFFFAOYSA-N
InChI
InChI=1S/BF4.In/c2-1(3,4)5;/q-1;+3
Names and Synonyms
- Borate(1-), Tetrafluoro-, Indium(3+) (3:1) Systematic Name
- Borate(1-), tetrafluoro-, indium(3+) (3:1) Synonym
- Borate(1-), tetrafluoro-, indium(3+) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [In+3].[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/BF4.In/c2-1(3,4)5;/q-1;+3 | CAS Common Chemistry |
| InChI Key | InChIKey=YRZDFPDNDCDALV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Borate(1-), tetrafluoro-, indium(3+) (3:1) | CAS Common Chemistry |
| Molecular Mass | 201.622 g/mol | RDKit |
| 201.90569912018 g/mol | RDKit | |
| 207.668 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 2 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 201.62 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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
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MW = 201.62 g/mol. Edit any field — others recompute live.
