| CAS Number | 1803590-23-9 |
| Catalog Number | AG01AFQO |
| Chemical Name | 2-(2,4-Dichlorophenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride |
| IUPAC Name | 2-(2,4-dichlorophenoxy)-1-piperazin-1-ylethanone;hydrochloride |
| InChI | InChI=1S/C12H14Cl2N2O2.ClH/c13-9-1-2-11(10(14)7-9)18-8-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H |
| InChI Key | CBQSFOMAQKAZJB-UHFFFAOYSA-N |
| MDL Number | MFCD27500973 |
| Molecular Formula | C12H15Cl3N2O2 |
| Molecular Weight | 325.6187 |
| SMILES | Cl.ClC1=CC(Cl)=C(OCC(N2CCNCC2)=O)C=C1 |
| Synonyms | 2-(2,4-dichlorophenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride,
1803590-23-9,
AKOS025656537,
NE48203,
A1-09289,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.614g/mol |
| Monoisotopic Mass | 324.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number