| CAS Number | 1432679-61-2 |
| Catalog Number | AG01A5DN |
| Chemical Name | 3-(4-nitrophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-(4-nitrophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H10N2O3/c13-10-9(5-6-11-10)7-1-3-8(4-2-7)12(14)15/h1-4,9H,5-6H2,(H,11,13) |
| InChI Key | XLERBMMVUHGRIU-UHFFFAOYSA-N |
| MDL Number | MFCD24369291 |
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.1980 |
| SMILES | [O-][N+](C1=CC=C(C2C(=O)NCC2)C=C1)=O |
| Synonyms | 3-(4-nitrophenyl)pyrrolidin-2-one,
1432679-61-2,
SCHEMBL17054752,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.201g/mol |
| Monoisotopic Mass | 206.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number