| CAS Number | 1052544-19-0 |
| Catalog Number | AG019PA3 |
| Chemical Name | 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}-2-chloroethan-1-one hydrochloride |
| IUPAC Name | 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-chloroethanone;hydrochloride |
| InChI | InChI=1S/C11H14BrClN2OS.ClH/c12-10-2-1-9(17-10)8-14-3-5-15(6-4-14)11(16)7-13;/h1-2H,3-8H2;1H |
| InChI Key | HFXZFZXIMGJCHG-UHFFFAOYSA-N |
| MDL Number | MFCD08692020 |
| Molecular Formula | C11H15BrCl2N2OS |
| Molecular Weight | 374.1246 |
| SMILES | Cl.ClCC(N1CCN(CC2SC(Br)=CC=2)CC1)=O |
| Synonyms | 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}-2-chloroethan-1-one hydrochloride,
1052544-19-0,
1-[(5-bromothien-2-yl)methyl]-4-(chloroacetyl)piperazine hydrochloride,
AC1Q3BFQ,
CTK6H5104,
AKOS030685981,
MCULE-4947682854,
NE14018,
EN300-22934,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.118g/mol |
| Monoisotopic Mass | 371.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number