| CAS Number | 1016773-90-2 |
| Catalog Number | AG019ZFF(AGN-PC-0WO7KI) |
| Chemical Name | 1-(4-Bromo-2-fluorophenyl)piperidin-2-one |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)piperidin-2-one |
| InChI | InChI=1S/C11H11BrFNO/c12-8-4-5-10(9(13)7-8)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2 |
| InChI Key | FAFPGXXEFPBHJX-UHFFFAOYSA-N |
| MDL Number | MFCD04037056 |
| Molecular Formula | C11H11BrFNO |
| Molecular Weight | 272.1135 |
| SMILES | FC1=C(N2C(=O)CCCC2)C=CC(Br)=C1 |
| Synonyms | 1-(4-bromo-2-fluorophenyl)piperidin-2-one,
1016773-90-2,
ZINC2524330,
AKOS000174949,
MCULE-4624459183,
NE32826,
Z118333916,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.0008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.11g/mol |
| Monoisotopic Mass | 271.0008g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number