HuagongsheHuagongshe Chemistry Print Report · For research reference only
2'-Fluoro-6'-methylbiphenyl-3-carboxylic acid
2-Fluoro-6-Methylbiphenyl-3-carboxylic acid · 2'-Fluoro-6'-methylbiphenyl-3-carboxylic acid · 2'-Fluoro-6'-methyl[1,1'-biphenyl]-3-carboxylic acid
Identifiers & Physical Properties
| CAS No. | 1215206-80-6 |
|---|---|
| Molecular formula | C14H11FO2 |
| Average molar mass | 230.23 g/mol |
| Monoisotopic mass | 230.07430775 g/mol |
| SMILES | Cc1cccc(F)c1-c1cccc(C(=O)O)c1 |
| InChIKey | WEFSCTPLVWIRNQ-UHFFFAOYSA-N |
| PubChem CID | 53216632 |
| DTXSID | DTXSID10681788 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 279 |
| Boiling point | 374.8±30.0 °C(Predicted) |
| Density | 1.226±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.02±0.10(Predicted) |
Applications & Uses
Uses
2''-Fluoro-6''-methylbiphenyl-3-carboxylic acid