| CAS Number | 90432-58-9 |
| Catalog Number | AG01BTX3(AGN-PC-00LX02) |
| Chemical Name | 5-(4-Fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 5-(4-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H10FNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13) |
| InChI Key | PMDKRVJPWNBFEM-UHFFFAOYSA-N |
| MDL Number | MFCD15527556 |
| Molecular Formula | C10H10FNO |
| Molecular Weight | 179.1909 |
| SMILES | FC1=CC=C(C=C1)C1CCC(N1)=O |
| Synonyms | 5-(4-FLUOROPHENYL)PYRROLIDIN-2-ONE,
90432-58-9,
SCHEMBL7237762,
PMDKRVJPWNBFEM-UHFFFAOYSA-N,
5-(4-fluorophenyl)-pyrrolidin-2-one,
AKOS022393194,
SC-37835,
(+/-)-5-(4-fluorophenyl)-2-pyrrolidone,
Z2760930248,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.194g/mol |
| Monoisotopic Mass | 179.075g/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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Certificate of Analysis
Lot Number