| CAS Number | 875446-03-0 |
| Catalog Number | AG01DSXG(AGN-PC-039JXW) |
| Chemical Name | 4-(3,4-Difluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 4-(3,4-difluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14) |
| InChI Key | WEBXSXICEYKMAI-UHFFFAOYSA-N |
| MDL Number | MFCD21691559 |
| Molecular Formula | C10H9F2NO |
| Molecular Weight | 197.1814 |
| SMILES | O=C1NCC(C2=CC=C(F)C(F)=C2)C1 |
| Synonyms | 4-(3,4-difluorophenyl)pyrrolidin-2-one,
875446-03-0,
SCHEMBL531750,
AKOS015449801,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.185g/mol |
| Monoisotopic Mass | 197.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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