| CAS Number | 1341968-84-0 |
| Catalog Number | AG01AC7O |
| Chemical Name | 3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one |
| IUPAC Name | 3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one |
| InChI | InChI=1S/C12H13Br2NO/c1-8-7-9(4-5-10(8)13)15-6-2-3-11(14)12(15)16/h4-5,7,11H,2-3,6H2,1H3 |
| InChI Key | LQMSWAGYZLICPN-UHFFFAOYSA-N |
| MDL Number | MFCD19678908 |
| Molecular Formula | C12H13Br2NO |
| Molecular Weight | 347.0457 |
| SMILES | CC1=C(Br)C=CC(N2C(=O)C(Br)CCC2)=C1 |
| Synonyms | 3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one,
1341968-84-0,
AKOS013557345,
NE18350,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.05g/mol |
| Monoisotopic Mass | 344.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number