| CAS Number | 1341170-88-4 |
| Catalog Number | AG01DSTJ(AGN-PC-0FN400) |
| Chemical Name | 3-bromo-1-(4-fluorophenyl)piperidin-2-one |
| IUPAC Name | 3-bromo-1-(4-fluorophenyl)piperidin-2-one |
| InChI | InChI=1S/C11H11BrFNO/c12-10-2-1-7-14(11(10)15)9-5-3-8(13)4-6-9/h3-6,10H,1-2,7H2 |
| InChI Key | VFNAGEBCCYECJQ-UHFFFAOYSA-N |
| MDL Number | MFCD19678832 |
| Molecular Formula | C11H11BrFNO |
| Molecular Weight | 272.1135 |
| SMILES | FC1=CC=C(N2C(=O)C(Br)CCC2)C=C1 |
| Synonyms | 3-bromo-1-(4-fluorophenyl)piperidin-2-one,
1341170-88-4,
AKOS013531463,
|
| Complexity | 241 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number