| CAS Number | 379726-07-5 |
| Catalog Number | AG019GV6 |
| Chemical Name | 3-[4-(2-Fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile |
| IUPAC Name | 3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile |
| InChI | InChI=1S/C13H14FN3O/c14-11-3-1-2-4-12(11)16-7-9-17(10-8-16)13(18)5-6-15/h1-4H,5,7-10H2 |
| InChI Key | FVKGNCMZMKPVDY-UHFFFAOYSA-N |
| MDL Number | MFCD03152411 |
| Molecular Formula | C13H14FN3O |
| Molecular Weight | 247.2682 |
| SMILES | FC1=C(N2CCN(C(CC#N)=O)CC2)C=CC=C1 |
| Synonyms | 3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile,
379726-07-5,
3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-3-oxo-propionitrile,
EN300-01365,
AC1M6AEE,
Oprea1_713123,
AC1Q4L39,
CTK7C9429,
ZINC3226866,
IMED56908425,
SBB042529,
AKOS000115167,
MCULE-9067495885,
NE12386,
Z56827188,
3-[4-(2-fluorophenyl)piperazinyl]-3-oxopropanenitrile,
ZINC03226866,
CID2345032,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.273g/mol |
| Monoisotopic Mass | 247.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number