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Hydrofluoric Acid, Homopolymer, Compd. With Pyridine
CAS: 62778-11-4 | C5H6FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62778-11-4
Molecular Formula:
C5H6FN
Molecular Mass:
99.11 g/mol
Names and Synonyms:
Hydrofluoric Acid, Homopolymer, Compd. With Pyridine
Hydrofluoric acid, homopolymer, compd. with pyridine
Pyridine, compd. with hydrofluoric acid homopolymer
Pyridinium poly(hydrogen fluoride)
Poly(pyridine fluoride)
Pyridinium polybifluoride
Olah's reagent
PPHF
Hydrogen fluoride-pyridine complex
Reagents, Olah's
Hydrogen fluoride-pyridine
HF-pyridine
Identifiers:
SMILES:
F.c1ccncc1
InChI:
InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H
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 | 99.11 g/mol | CAS Common Chemistry |
| 99.10799999999999 g/mol | RDKit | |
| 99.048427412 g/mol | RDKit | |
| Canonical SMILES | F.N=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GRJJQCWNZGRKAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrofluoric acid, homopolymer, compd. with pyridine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 1.2341 | RDKit |
| Molar Refractivity | 26.739999999999995 | RDKit |
