| CAS Number | 13228-52-9 |
| Catalog Number | AG01A4ZI(AGN-PC-0WO7VJ) |
| Chemical Name | 3-bromo-1-(3,4-dichlorophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(3,4-dichlorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H8BrCl2NO/c11-7-3-4-14(10(7)15)6-1-2-8(12)9(13)5-6/h1-2,5,7H,3-4H2 |
| InChI Key | VUXMKBJIESFMLX-UHFFFAOYSA-N |
| MDL Number | MFCD18886543 |
| Molecular Formula | C10H8BrCl2NO |
| Molecular Weight | 308.9866 |
| SMILES | ClC1=C(Cl)C=C(N2C(=O)C(Br)CC2)C=C1 |
| Synonyms | 3-bromo-1-(3,4-dichlorophenyl)pyrrolidin-2-one,
13228-52-9,
AKOS013100066,
NE18139,
|
| 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