| CAS Number | 374632-12-9 |
| Catalog Number | AG00I7DG(AGN-PC-0WR2WT) |
| Chemical Name | N-METHYL-2,4-DINITROBENZAMIDE |
| IUPAC Name | N-methyl-2,4-dinitrobenzamide |
| InChI | InChI=1S/C8H7N3O5/c1-9-8(12)6-3-2-5(10(13)14)4-7(6)11(15)16/h2-4H,1H3,(H,9,12) |
| InChI Key | DPMJQNUVNCPUFG-UHFFFAOYSA-N |
| MDL Number | MFCD16620329 |
| Molecular Formula | C8H7N3O5 |
| Molecular Weight | 225.1583 |
| SMILES | CNC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | N-Methyl-2,4-dinitrobenzamide,
374632-12-9,
SCHEMBL6971828,
MFCD16620329,
ZINC78545757,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.16g/mol |
| Monoisotopic Mass | 225.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number