| CAS Number | 923170-91-6 |
| Catalog Number | AG00GUE3 |
| Chemical Name | 1-(4-[4-(Chloroacetyl)piperazin-1-yl]-3-fluorophenyl)ethanone |
| IUPAC Name | 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-chloroethanone |
| InChI | InChI=1S/C14H16ClFN2O2/c1-10(19)11-2-3-13(12(16)8-11)17-4-6-18(7-5-17)14(20)9-15/h2-3,8H,4-7,9H2,1H3 |
| InChI Key | ICADSZGSHLWDTL-UHFFFAOYSA-N |
| MDL Number | MFCD08444287 |
| Molecular Formula | C14H16ClFN2O2 |
| Molecular Weight | 298.7404 |
| SMILES | CC(C1=CC=C(N2CCN(C(CCl)=O)CC2)C(F)=C1)=O |
| Synonyms | 923170-91-6,
1-{4-[4-(chloroacetyl)piperazin-1-yl]-3-fluorophenyl}ethanone,
1-[4-[4-(Chloroacetyl)piperazin-1-yl]-3-fluorophenyl]ethanone,
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-chloroethan-1-one,
AC1Q1JLO,
CTK6H5057,
ZINC9791108,
AKOS008077279,
MCULE-4070572397,
NE27130,
EN300-24520,
J-504133,
Z203038618,
1-(4-(4-Acetyl-2-fluorophenyl)piperazin-1-yl)-2-chloroethanone,
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-chloroethanone,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.742g/mol |
| Monoisotopic Mass | 298.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number