| CAS Number | 678996-43-5 |
| Catalog Number | AG005OVP(AGN-PC-00O49P) |
| Chemical Name | Ethanone, 1-[4-(4-bromophenyl)-1-piperazinyl]-
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| IUPAC Name | 1-[4-(4-bromophenyl)piperazin-1-yl]ethanone |
| InChI | InChI=1S/C12H15BrN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3 |
| InChI Key | WNWHREPVSZJEPA-UHFFFAOYSA-N |
| MDL Number | MFCD17170409 |
| Molecular Formula | C12H15BrN2O |
| Molecular Weight | 283.1643 |
| SMILES | CC(=O)N1CCN(CC1)c1ccc(cc1)Br |
| Synonyms | 678996-43-5,
1-(4-(4-BROMOPHENYL)PIPERAZIN-1-YL)ETHANONE,
1-Acetyl-4-(4-bromophenyl)piperazine,
1-[4-(4-BROMOPHENYL)PIPERAZIN-1-YL]ETHANONE,
SCHEMBL3933775,
CTK8B9690,
DTXSID40550498,
WNWHREPVSZJEPA-UHFFFAOYSA-N,
0465AC,
ANW-62895,
ZINC34162412,
AKOS016004149,
1-acetyl-4-(4-bromophenyl)-piperazine,
AJ-87245,
SY028340,
Piperazine, 1-acetyl-4-(4-bromophenyl)-,
TC-151640,
MFCD17170409 (95%),
1-[4-(4-Bromophenyl)piperazin-1-yl]ethan-1-one,
C12H15BrN2O,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.169g/mol |
| Monoisotopic Mass | 282.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number