| CAS Number | 1461715-23-0 |
| Catalog Number | AG01ABV7(AGN-PC-0WO5EM) |
| Chemical Name | 1-(4-Bromo-3-fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrFNO/c11-8-4-3-7(6-9(8)12)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2 |
| InChI Key | AFDHVMQGXHHQRJ-UHFFFAOYSA-N |
| MDL Number | MFCD21235443 |
| Molecular Formula | C10H9BrFNO |
| Molecular Weight | 258.0870 |
| SMILES | FC1=C(Br)C=CC(N2C(=O)CCC2)=C1 |
| Synonyms | 1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one,
1461715-23-0,
SCHEMBL17080016,
ZINC83826904,
AKOS014767449,
NE21615,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number