| CAS Number | 188533-10-0 |
| Catalog Number | AG01AHO6(AGN-PC-024UY4) |
| Chemical Name | 3-bromo-1-(2-fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(2-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrFNO/c11-7-5-6-13(10(7)14)9-4-2-1-3-8(9)12/h1-4,7H,5-6H2 |
| InChI Key | KRQZEPZBABMOPQ-UHFFFAOYSA-N |
| MDL Number | MFCD18785545 |
| Molecular Formula | C10H9BrFNO |
| Molecular Weight | 258.0870 |
| SMILES | FC1=C(N2C(=O)C(Br)CC2)C=CC=C1 |
| Synonyms | 3-bromo-1-(2-fluorophenyl)pyrrolidin-2-one,
188533-10-0,
SCHEMBL8560583,
AKOS013100446,
NE16354,
EN300-75309,
|
| Complexity | 236 |
| 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