| CAS Number | 1365271-67-5 |
| Catalog Number | AG0011Z3(AGN-PC-0WA9SK) |
| Chemical Name | 4-[(3-Fluorophenyl)carbonyl]benzonitrile |
| IUPAC Name | 4-(3-fluorobenzoyl)benzonitrile |
| InChI | InChI=1S/C14H8FNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8H |
| InChI Key | ARIWCURIZIYVQZ-UHFFFAOYSA-N |
| MDL Number | MFCD16607525 |
| Molecular Formula | C14H8FNO |
| Molecular Weight | 225.2178 |
| SMILES | N#Cc1ccc(cc1)C(=O)c1cccc(c1)F |
| Synonyms | 4-[(3-Fluorophenyl)carbonyl]benzonitrile,
1365271-67-5,
4-(3-fluorobenzoyl)benzonitrile,
ACMC-209c6i,
CTK8B0489,
DTXSID70742844,
ANW-20056,
Benzonitrile, 4-(3-fluorobenzoyl)-,
MFCD21609717,
ZINC85477000,
TC-108801,
V2557,
B-8858,
C14H8FNO,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.222g/mol |
| Monoisotopic Mass | 225.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^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