| CAS Number | 1341366-78-6 |
| Catalog Number | AG019S0I(AGN-PC-0WO3KQ) |
| Chemical Name | 3-Bromo-1-(4-methylphenyl)piperidin-2-one |
| IUPAC Name | 3-bromo-1-(4-methylphenyl)piperidin-2-one |
| InChI | InChI=1S/C12H14BrNO/c1-9-4-6-10(7-5-9)14-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3 |
| InChI Key | PTFNRRIZKLQRFI-UHFFFAOYSA-N |
| MDL Number | MFCD19678882 |
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 268.1497 |
| SMILES | CC1=CC=C(N2C(=O)C(Br)CCC2)C=C1 |
| Synonyms | 3-bromo-1-(4-methylphenyl)piperidin-2-one,
1341366-78-6,
AKOS013529198,
NE20675,
EN300-91321,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.154g/mol |
| Monoisotopic Mass | 267.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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