| CAS Number | 1306606-97-2 |
| Catalog Number | AG01AI4W(AGN-PC-0WO1J2) |
| Chemical Name | 3-bromo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H9BrF3NO/c12-9-5-6-16(10(9)17)8-3-1-7(2-4-8)11(13,14)15/h1-4,9H,5-6H2 |
| InChI Key | WWDGKNDAVWMBID-UHFFFAOYSA-N |
| MDL Number | MFCD18838851 |
| Molecular Formula | C11H9BrF3NO |
| Molecular Weight | 308.0945 |
| SMILES | FC(C1=CC=C(N2C(=O)C(Br)CC2)C=C1)(F)F |
| Synonyms | 3-bromo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one,
1306606-97-2,
AKOS013102040,
NE22059,
EN300-76749,
|
| Complexity | 300 |
| 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