| CAS Number | 1412417-17-4 |
| Catalog Number | AG01ACZ4(AGN-PC-0WO4JH) |
| Chemical Name | 3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H9BrF3NO/c12-8-5-6-16(10(8)17)9-4-2-1-3-7(9)11(13,14)15/h1-4,8H,5-6H2 |
| InChI Key | JZGPSOHIBDAEBK-UHFFFAOYSA-N |
| MDL Number | MFCD19527249 |
| Molecular Formula | C11H9BrF3NO |
| Molecular Weight | 308.0945 |
| SMILES | FC(C1=C(N2C(=O)C(Br)CC2)C=CC=C1)(F)F |
| Synonyms | 3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one,
1412417-17-4,
AKOS013101650,
NE27052,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.098g/mol |
| Monoisotopic Mass | 306.982g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number