| CAS Number | 928707-61-3 |
| Catalog Number | AG019KRI |
| Chemical Name | 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one |
| IUPAC Name | 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one |
| InChI | InChI=1S/C13H16ClFN2O/c1-10(14)13(18)17-8-6-16(7-9-17)12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3 |
| InChI Key | SQHVUCXOXGHTTH-UHFFFAOYSA-N |
| MDL Number | MFCD09673400 |
| Molecular Formula | C13H16ClFN2O |
| Molecular Weight | 270.7303 |
| SMILES | CC(C(N1CCN(C2=CC=C(F)C=C2)CC1)=O)Cl |
| Synonyms | 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one,
928707-61-3,
AC1Q2ATX,
AKOS000103787,
AKOS022340572,
NE24185,
EN300-28111,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.732g/mol |
| Monoisotopic Mass | 270.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number