| CAS Number | 1311316-20-7 |
| Catalog Number | AG01AIR8(AGN-PC-0WO2SJ) |
| Chemical Name | 3-bromo-1-(3-fluorophenyl)piperidin-2-one |
| IUPAC Name | 3-bromo-1-(3-fluorophenyl)piperidin-2-one |
| InChI | InChI=1S/C11H11BrFNO/c12-10-5-2-6-14(11(10)15)9-4-1-3-8(13)7-9/h1,3-4,7,10H,2,5-6H2 |
| InChI Key | LQTPDMRRADKQOM-UHFFFAOYSA-N |
| MDL Number | MFCD18917384 |
| Molecular Formula | C11H11BrFNO |
| Molecular Weight | 272.1135 |
| SMILES | FC1=CC(N2C(=O)C(Br)CCC2)=CC=C1 |
| Synonyms | 3-bromo-1-(3-fluorophenyl)piperidin-2-one,
1311316-20-7,
AKOS013513515,
NE18484,
EN300-78846,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.117g/mol |
| Monoisotopic Mass | 271.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number