| CAS Number | 1340097-54-2 |
| Catalog Number | AG019Z6L(AGN-PC-0WO2DD) |
| Chemical Name | 3-Bromo-1-(2,6-difluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(2,6-difluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H8BrF2NO/c11-6-4-5-14(10(6)15)9-7(12)2-1-3-8(9)13/h1-3,6H,4-5H2 |
| InChI Key | MYQISHSUKPPWJD-UHFFFAOYSA-N |
| MDL Number | MFCD18886603 |
| Molecular Formula | C10H8BrF2NO |
| Molecular Weight | 276.0774 |
| SMILES | BrC1C(N(CC1)C1=C(C=CC=C1F)F)=O |
| Synonyms | 3-bromo-1-(2,6-difluorophenyl)pyrrolidin-2-one,
1340097-54-2,
AKOS013100073,
NE16400,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.081g/mol |
| Monoisotopic Mass | 274.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number