| CAS Number | 1019058-85-5 |
| Catalog Number | AG00VT97(AGN-PC-06D7CJ) |
| Chemical Name | 1-(4-Fluorophenyl)-2-piperazin-1-ylethanone dihydrochloride |
| IUPAC Name | 1-(4-fluorophenyl)-2-piperazin-1-ylethanone;dihydrochloride |
| InChI | InChI=1S/C12H15FN2O.2ClH/c13-11-3-1-10(2-4-11)12(16)9-15-7-5-14-6-8-15;;/h1-4,14H,5-9H2;2*1H |
| InChI Key | IWVYXWLVGIXMED-UHFFFAOYSA-N |
| MDL Number | MFCD09971581 |
| Molecular Formula | C12H17Cl2FN2O |
| Molecular Weight | 295.1806 |
| SMILES | Cl.Cl.FC1=CC=C(C(CN2CCNCC2)=O)C=C1 |
| Synonyms | 1019058-85-5,
1-(4-fluorophenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride,
1-(4-fluorophenyl)-2-piperazin-1-ylethanone dihydrochloride,
AC1Q3ALP,
SCHEMBL3131951,
CTK7F7162,
IWVYXWLVGIXMED-UHFFFAOYSA-N,
AKOS008090320,
MCULE-7025660606,
NE14725,
NS-04963,
EN300-31899,
J-000514,
1-(4-fluorophenyl)-2-(piperazin-1-yl)ethanone dihydrochloride,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.179g/mol |
| Monoisotopic Mass | 294.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number