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Borane, Trifluoro-, Dihydrate
CAS: 13319-75-0 | H4BF3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13319-75-0
Molecular Formula:
H4BF3O2
Molecular Mass:
103.84 g/mol
Names and Synonyms:
Borane, Trifluoro-, Dihydrate
Borane, trifluoro-, dihydrate
Boron fluoride (BF3) dihydrate
Boron fluoride dihydrate
Boron trifluoride dihydrate
Trifluoroborane dihydrate
Identifiers:
SMILES:
FB(F)F.O.O
InChI:
InChI=1S/BF3.2H2O/c2-1(3)4;;/h;2*1H2
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 | 103.84 g/mol | CAS Common Chemistry |
| 103.83600000000001 g/mol | RDKit | |
| 104.025644428 g/mol | RDKit | |
| Canonical SMILES | FB(F)F.O | CAS Common Chemistry |
| InChI | InChI=1S/BF3.2H2O/c2-1(3)4;;/h;2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MJCYPBSRKLJZTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Borane, trifluoro-, dihydrate | 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 | 63.0 Ų | RDKit |
| LogP | -0.7696000000000001 | RDKit |
| Molar Refractivity | 16.305600000000002 | RDKit |
