| CAS Number | 1016752-51-4 |
| Catalog Number | AG019KZF |
| Chemical Name | 1-(4-acetylpiperazin-1-yl)-2-bromo-3-methylbutan-1-one |
| IUPAC Name | 1-(4-acetylpiperazin-1-yl)-2-bromo-3-methylbutan-1-one |
| InChI | InChI=1S/C11H19BrN2O2/c1-8(2)10(12)11(16)14-6-4-13(5-7-14)9(3)15/h8,10H,4-7H2,1-3H3 |
| InChI Key | BDCVGWLQDHGSTP-UHFFFAOYSA-N |
| MDL Number | MFCD09931887 |
| Molecular Formula | C11H19BrN2O2 |
| Molecular Weight | 291.1848 |
| SMILES | CC(C(C(N1CCN(C(C)=O)CC1)=O)Br)C |
| Synonyms | 1-(4-acetylpiperazin-1-yl)-2-bromo-3-methylbutan-1-one,
1016752-51-4,
AKOS000176026,
NE41751,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.189g/mol |
| Monoisotopic Mass | 290.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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