| CAS Number | 1497-18-3 |
| Catalog Number | AG01C23V |
| Chemical Name | 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione |
| IUPAC Name | 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H10ClNO2/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 | UUGLTVQGULWIPD-UHFFFAOYSA-N |
| MDL Number | MFCD11104847 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.6556 |
| SMILES | CC1(C2=CC=C(Cl)C=C2)C(=O)NC(=O)C1 |
| Synonyms | 1497-18-3,
3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.656g/mol |
| Monoisotopic Mass | 223.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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