| CAS Number | 66296-67-1 |
| Catalog Number | AG00FXIB(AGN-PC-0LX8ZV) |
| Chemical Name | 1-methyl-3,4-dinitro-1H-pyrazole |
| IUPAC Name | 1-methyl-3,4-dinitropyrazole |
| InChI | InChI=1S/C4H4N4O4/c1-6-2-3(7(9)10)4(5-6)8(11)12/h2H,1H3 |
| InChI Key | VDTOUIPOAUVOLP-UHFFFAOYSA-N |
| MDL Number | MFCD00466337 |
| Molecular Formula | C4H4N4O4 |
| Molecular Weight | 172.0990 |
| SMILES | CN1C=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | 1-methyl-3,4-dinitro-1H-pyrazole,
1-methyl-3,4-dinitropyrazole,
66296-67-1,
AC1OGPRT,
SCHEMBL12335522,
CTK6I1958,
ZINC4291290,
ZX-RL005826,
FCH841472,
SBB022279,
STK349681,
AKOS000310707,
AKOS015922206,
MCULE-2203568619,
OR307165,
ST45114964,
EN300-229749,
ZINC04291290,
CID7172355,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.1g/mol |
| Monoisotopic Mass | 172.023g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number