| CAS Number | 1440526-42-0 |
| Catalog Number | AG00HX0D(AGN-PC-0WR0ES) |
| Chemical Name | (4-Methoxy-3,5-dinitro-phenyl)-acetonitrile |
| IUPAC Name | 2-(4-methoxy-3,5-dinitrophenyl)acetonitrile |
| InChI | InChI=1S/C9H7N3O5/c1-17-9-7(11(13)14)4-6(2-3-10)5-8(9)12(15)16/h4-5H,2H2,1H3 |
| InChI Key | MBJXYTAJMZJBHZ-UHFFFAOYSA-N |
| MDL Number | MFCD24843102 |
| Molecular Formula | C9H7N3O5 |
| Molecular Weight | 237.1690 |
| SMILES | N#CCc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC |
| Synonyms | (4-Methoxy-3,5-dinitro-phenyl)-acetonitrile,
1440526-42-0,
ZINC169724873,
Z-8736,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.03857g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.17g/mol |
| Monoisotopic Mass | 237.03857g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 125Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number