| CAS Number | 861379-38-6 |
| Catalog Number | AG00IDXD(AGN-PC-0WR4C4) |
| Chemical Name | N-(2-Nitrophenacyl)phthalimide |
| IUPAC Name | 2-[2-(2-nitrophenyl)-2-oxoethyl]isoindole-1,3-dione |
| InChI | InChI=1S/C16H10N2O5/c19-14(12-7-3-4-8-13(12)18(22)23)9-17-15(20)10-5-1-2-6-11(10)16(17)21/h1-8H,9H2 |
| InChI Key | TYKSKIMTKMBEHR-UHFFFAOYSA-N |
| MDL Number | MFCD18908908 |
| Molecular Formula | C16H10N2O5 |
| Molecular Weight | 310.2610 |
| SMILES | O=C(c1ccccc1[N+](=O)[O-])CN1C(=O)c2c(C1=O)cccc2 |
| Synonyms | N-(2-Nitrophenacyl)phthalimide,
861379-38-6,
C16H10N2O5,
ZINC95944490,
V8166,
2-(2-(2-Nitrophenyl)-2-oxoethyl)isoindoline-1,3-dione,
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| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.265g/mol |
| Monoisotopic Mass | 310.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number