| CAS Number | 1100756-25-9 |
| Catalog Number | AG01C35I |
| Chemical Name | 3-Bromo-1-(4-fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrFNO/c11-9-5-6-13(10(9)14)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2 |
| InChI Key | JOGRIGISZKFETF-UHFFFAOYSA-N |
| MDL Number | MFCD18886488 |
| Molecular Formula | C10H9BrFNO |
| Molecular Weight | 258.0870 |
| SMILES | FC1=CC=C(N2C(=O)C(Br)CC2)C=C1 |
| Synonyms | 3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one,
1100756-25-9,
AKOS013100062,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.09g/mol |
| Monoisotopic Mass | 256.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number