| CAS Number | 1212060-28-0 |
| Catalog Number | AG01EH8T |
| Chemical Name | 1-(4-Methyl-2-nitrophenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-methyl-2-nitrophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H12N2O3/c1-8-4-5-9(10(7-8)13(15)16)12-6-2-3-11(12)14/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | KHURAQOGOUTZAW-UHFFFAOYSA-N |
| MDL Number | MFCD13704609 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | Cc1ccc(c(c1)[N+](=O)[O-])N1CCCC1=O |
| Synonyms | 1-(4-methyl-2-nitrophenyl)pyrrolidin-2-one,
1212060-28-0,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.084792g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.22g/mol |
| Monoisotopic Mass | 220.084792g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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