| CAS Number | 3694-51-7 |
| Catalog Number | AG00CT5O(AGN-PC-00GJAF) |
| Chemical Name | 3,5-Dinitro-o-phenylenediamine |
| IUPAC Name | 3,5-dinitrobenzene-1,2-diamine |
| InChI | InChI=1S/C6H6N4O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,7-8H2 |
| InChI Key | JMGGTZMFWKWZSJ-UHFFFAOYSA-N |
| MDL Number | MFCD06797872 |
| Molecular Formula | C6H6N4O4 |
| Molecular Weight | 198.1362 |
| SMILES | [O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])N |
| Synonyms | 2-amino-3,5-dinitrophenylamine,
3694-51-7,
3,5-dinitrobenzene-1,2-diamine,
SCHEMBL5556376,
1,2-Diamino-3,5-dinitrobenzene,
AKOS006286029,
CID11805678,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.138g/mol |
| Monoisotopic Mass | 198.039g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number