| CAS Number | 1393441-82-1 |
| Catalog Number | AG009X11(AGN-PC-0WA96G) |
| Chemical Name | 4-(3-Cyanophenyl)-2-fluorobenzonitrile |
| IUPAC Name | 4-(3-cyanophenyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C14H7FN2/c15-14-7-12(4-5-13(14)9-17)11-3-1-2-10(6-11)8-16/h1-7H |
| InChI Key | SXACQJMBFHFNJU-UHFFFAOYSA-N |
| MDL Number | MFCD22383717 |
| Molecular Formula | C14H7FN2 |
| Molecular Weight | 222.2172 |
| SMILES | N#Cc1cccc(c1)c1ccc(c(c1)F)C#N |
| Synonyms | 4-(3-Cyanophenyl)-2-fluorobenzonitrile,
1393441-82-1,
C14H7FN2,
ZINC95495646,
AKOS026673160,
V2912,
B-9569,
3'-fluoro-[1,1'-biphenyl]-3,4'-dicarbonitrile,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.222g/mol |
| Monoisotopic Mass | 222.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number