| CAS Number | 1031927-96-4 |
| Catalog Number | AG007HX9(AGN-PC-0WQXGR) |
| Chemical Name | 2-Bromo-3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-one |
| IUPAC Name | 2-bromo-3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-one |
| InChI | InChI=1S/C8H12BrF3N2O/c1-13-2-4-14(5-3-13)7(15)6(9)8(10,11)12/h6H,2-5H2,1H3 |
| InChI Key | NMLHIKZSHDBOHQ-UHFFFAOYSA-N |
| MDL Number | MFCD09997950 |
| Molecular Formula | C8H12BrF3N2O |
| Molecular Weight | 289.0929 |
| SMILES | BrC(C(F)(F)F)C(=O)N1CCN(CC1)C |
| Synonyms | 2-bromo-3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-one,
1031927-96-4,
CTK4A1820,
DTXSID30656579,
MFCD09997950,
AKOS022178950,
PC404543,
RT-016588,
T6118,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.096g/mol |
| Monoisotopic Mass | 288.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number