| CAS Number | 38858-81-0 |
| Catalog Number | AG00BXRZ(AGN-PC-040LUW) |
| Chemical Name | 1,3-Dinitro-1H-pyrazole |
| IUPAC Name | 1,3-dinitropyrazole |
| InChI | InChI=1S/C3H2N4O4/c8-6(9)3-1-2-5(4-3)7(10)11/h1-2H |
| InChI Key | WDETXHQYBSBUJC-UHFFFAOYSA-N |
| MDL Number | MFCD00297297 |
| Molecular Formula | C3H2N4O4 |
| Molecular Weight | 158.0724 |
| SMILES | [O-][N+](=O)c1ccn(n1)[N+](=O)[O-] |
| Synonyms | 1,3-Dinitro-1H-pyrazole,
38858-81-0,
1,3-Dinitropyrazole,
SCHEMBL173628,
DTXSID50632471,
WDETXHQYBSBUJC-UHFFFAOYSA-N,
ZINC95883336,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.073g/mol |
| Monoisotopic Mass | 158.008g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number