| CAS Number | 1315368-58-1 |
| Catalog Number | AG01AJGI(AGN-PC-0WO7CC) |
| Chemical Name | 1-(5-bromo-2-chlorophenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(5-bromo-2-chlorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrClNO/c11-7-3-4-8(12)9(6-7)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2 |
| InChI Key | KFDZNALEEFWYFZ-UHFFFAOYSA-N |
| MDL Number | MFCD17247400 |
| Molecular Formula | C10H9BrClNO |
| Molecular Weight | 274.5416 |
| SMILES | ClC1=C(N2C(=O)CCC2)C=C(Br)C=C1 |
| Synonyms | 1-(5-bromo-2-chlorophenyl)pyrrolidin-2-one,
1315368-58-1,
ZINC61693141,
AKOS008154468,
MCULE-7898535531,
NE58021,
EN300-80661,
Z1250132280,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.542g/mol |
| Monoisotopic Mass | 272.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number