| CAS Number | 1292476-04-0 |
| Catalog Number | AG019YG9 |
| Chemical Name | 1-[2-(4-nitrophenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione |
| IUPAC Name | 1-[2-(4-nitrophenyl)ethyl]pyrrole-2,5-dione |
| InChI | InChI=1S/C12H10N2O4/c15-11-5-6-12(16)13(11)8-7-9-1-3-10(4-2-9)14(17)18/h1-6H,7-8H2 |
| InChI Key | UWCSFFFOYLJQRQ-UHFFFAOYSA-N |
| MDL Number | MFCD13285256 |
| Molecular Formula | C12H10N2O4 |
| Molecular Weight | 246.2188 |
| SMILES | [O-][N+](C1=CC=C(CCN2C(=O)C=CC2=O)C=C1)=O |
| Synonyms | 1-[2-(4-nitrophenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione,
1292476-04-0,
ZINC40676174,
AKOS010469892,
NE31839,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.222g/mol |
| Monoisotopic Mass | 246.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number