| CAS Number | 1343959-33-0 |
| Catalog Number | AG01BCXP |
| Chemical Name | 3-bromo-1-(2,4-dichlorophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(2,4-dichlorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H8BrCl2NO/c11-7-3-4-14(10(7)15)9-2-1-6(12)5-8(9)13/h1-2,5,7H,3-4H2 |
| InChI Key | XJBYHOVONSVERO-UHFFFAOYSA-N |
| MDL Number | MFCD18886549 |
| Molecular Formula | C10H8BrCl2NO |
| Molecular Weight | 308.9866 |
| SMILES | ClC1=CC(Cl)=C(N2C(=O)C(Br)CC2)C=C1 |
| Synonyms | 3-bromo-1-(2,4-dichlorophenyl)pyrrolidin-2-one,
1343959-33-0,
AKOS013100840,
NE20582,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.984g/mol |
| Monoisotopic Mass | 306.917g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number