HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3-Cyanophenyl)(2,5-difluorophenyl)borinic acid
Identifiers & Physical Properties
| CAS No. | 872495-70-0 |
|---|---|
| Molecular formula | C13H8BF2NO |
| Average molar mass | 243.02 g/mol |
| Monoisotopic mass | 243.0667004 g/mol |
| SMILES | N#Cc1cccc(B(O)c2cc(F)ccc2F)c1 |
| InChIKey | ITNFYFISNFGZDS-UHFFFAOYSA-N |
| PubChem CID | 69338192 |
| DTXSID | DTXSID20740279 |
Chemical & Physical Properties
| Topological polar surface area | 44 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 332 |