| CAS Number | 55210-88-3 |
| Catalog Number | AG019TR5(AGN-PC-0WOC8Q) |
| Chemical Name | 3-Bromo-1-(propan-2-yl)piperidin-2-one |
| IUPAC Name | 3-bromo-1-propan-2-ylpiperidin-2-one |
| InChI | InChI=1S/C8H14BrNO/c1-6(2)10-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3 |
| InChI Key | RMFDATHXIXMZDO-UHFFFAOYSA-N |
| MDL Number | MFCD19678889 |
| Molecular Formula | C8H14BrNO |
| Molecular Weight | 220.1069 |
| SMILES | CC(N1C(=O)C(Br)CCC1)C |
| Synonyms | 3-bromo-1-(propan-2-yl)piperidin-2-one,
55210-88-3,
SCHEMBL11607661,
AKOS013556912,
NE22515,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.11g/mol |
| Monoisotopic Mass | 219.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number