| CAS Number | 1352318-38-7 |
| Catalog Number | AG009WKX |
| Chemical Name | 2-(3-Fluorophenyl)benzonitrile |
| IUPAC Name | 2-(3-fluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H8FN/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-8H |
| InChI Key | TWLRDJROKMCJIU-UHFFFAOYSA-N |
| MDL Number | MFCD05980284 |
| Molecular Formula | C13H8FN |
| Molecular Weight | 197.2077 |
| SMILES | N#Cc1ccccc1c1cccc(c1)F |
| Synonyms | 2-(3-Fluorophenyl)benzonitrile,
1352318-38-7,
ACMC-209bz0,
CTK8B0306,
DTXSID40362694,
ZINC1258852,
ANW-19786,
MFCD05980284,
AKOS026672793,
CJ-04826,
TC-108531,
Z9873,
B-8492,
C13H8FN,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.212g/mol |
| Monoisotopic Mass | 197.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number