HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[3-Fluoro-4-(4-propylphenyl)phenyl]benzonitrile
Propylphenyl-3 '- fluoro-4-cyanophenyl · 4-[3-fluoro-4-(4-propylphenyl)phenyl]benzonitrile · 3'-Fluoro-4''-propyl-[1,1':4',1''-terphenyl]-4-ca · 1,1'4',1''-Terphenyl]-4-carbonitrile, 3'-fluoro-4''-propyl- · 3'-Fluoro-4''-propyl-[1,1':4',1''-terphenyl]-4-carbonitrile
![4-[3-Fluoro-4-(4-propylphenyl)phenyl]benzonitrile molecular structure](/img/chemical/22008063.png)
Identifiers & Physical Properties
| CAS No. | 116831-09-5 |
|---|---|
| Molecular formula | C22H18FN |
| Average molar mass | 315.4 g/mol |
| Monoisotopic mass | 315.1423278 g/mol |
| SMILES | CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2F)cc1 |
| InChIKey | STRJVIVMRXTARL-UHFFFAOYSA-N |
| PubChem CID | 22008063 |
| DTXSID | DTXSID601192254 |
Chemical & Physical Properties
| XLogP | 6.3 |
|---|---|
| Topological polar surface area | 23.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 422 |
| Chemical classes | Fluorinated Liquid Crystal Monomers (LCM)Liquid Crystal (LCM) Monomers |
| SpringerMaterials Properties | Chemical diffusion |
| Boiling point | 480.2±45.0 °C(Predicted) |
| Density | 1.15±0.1 g/cm3(Predicted) |