| CAS Number | 330809-39-7 |
| Catalog Number | AG01E70M(AGN-PC-0FJS0G) |
| Chemical Name | 1-(4-acetylpiperazin-1-yl)-2-bromoethan-1-one |
| IUPAC Name | 1-(4-acetylpiperazin-1-yl)-2-bromoethanone |
| InChI | InChI=1S/C8H13BrN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3 |
| InChI Key | WURSUKHWYZCOLH-UHFFFAOYSA-N |
| MDL Number | MFCD16492217 |
| Molecular Formula | C8H13BrN2O2 |
| Molecular Weight | 249.105 |
| SMILES | CC(N1CCN(C(CBr)=O)CC1)=O |
| Synonyms | 330809-39-7,
SCHEMBL4498918,
1-acetyl-4-bromoacetylpiperazine,
WURSUKHWYZCOLH-UHFFFAOYSA-N,
ZINC41711339,
AKOS012989184,
Piperazine, 1-acetyl-4-(bromoacetyl)-,
FT-0761319,
1-(4-acetyl-1-piperazinyl)-2-bromo-Ethanone,
1-(4-acetylpiperazin-1-yl)-2-bromoethan-1-one,
Ethanone, 1-(4-acetyl-1-piperazinyl)-2-bromo-,
1-(4-acetyl-1-piperazinyl)-2-bromoEthanone,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.108g/mol |
| Monoisotopic Mass | 248.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number