| CAS Number | 1221658-67-8 |
| Catalog Number | AG0016VF(AGN-PC-0WA3PO) |
| Chemical Name | 1-(4-Bromophenyl)-4-(ethylsulfonyl)piperazine |
| IUPAC Name | 1-(4-bromophenyl)-4-ethylsulfonylpiperazine |
| InChI | InChI=1S/C12H17BrN2O2S/c1-2-18(16,17)15-9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3 |
| InChI Key | DPGNULCSJLDVBD-UHFFFAOYSA-N |
| MDL Number | MFCD16036099 |
| Molecular Formula | C12H17BrN2O2S |
| Molecular Weight | 333.2446 |
| SMILES | BrC1C=CC(=CC=1)N1CCN(CC1)S(CC)(=O)=O |
| Synonyms | 1-(4-Bromophenyl)-4-(ethylsulfonyl)piperazine,
1221658-67-8,
ACMC-209ajr,
1-(4-Bromophenyl)-4-(ethanesulfonyl)piperazine,
CTK4B2977,
DTXSID60681470,
ANW-17941,
MFCD16036099,
ZINC65336826,
AKOS015835611,
AJ-114889,
AX8229486,
TR-034916,
ST24021098,
Z8590,
B-2515,
I13-364,
Piperazine, 1-(4-bromophenyl)-4-(ethylsulfonyl)-,
C12H17BrN2O2S,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.244g/mol |
| Monoisotopic Mass | 332.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number