| CAS Number | 98054-68-3 |
| Catalog Number | AG01BFOT(AGN-PC-02QXBO) |
| Chemical Name | 3-(4-Fluorophenyl)-3-methylpyrrolidine-2,5-dione |
| IUPAC Name | 3-(4-fluorophenyl)-3-methylpyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H10FNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15) |
| InChI Key | OUTUPNINQIXCJZ-UHFFFAOYSA-N |
| MDL Number | MFCD11207802 |
| Molecular Formula | C11H10FNO2 |
| Molecular Weight | 207.2010 |
| SMILES | CC1(C2=CC=C(F)C=C2)C(=O)NC(=O)C1 |
| Synonyms | 3-(4-fluorophenyl)-3-methylpyrrolidine-2,5-dione,
98054-68-3,
SCHEMBL10971053,
AKOS009328338,
Z2130643927,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.204g/mol |
| Monoisotopic Mass | 207.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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