| CAS Number | 847573-68-6 |
| Catalog Number | AG00GAH2(AGN-PC-0I0SM2) |
| Chemical Name | 1H-pyrazole-3,5-dicarbonitrile |
| IUPAC Name | 1H-pyrazole-3,5-dicarbonitrile |
| InChI | InChI=1S/C5H2N4/c6-2-4-1-5(3-7)9-8-4/h1H,(H,8,9) |
| InChI Key | LBSASQXIHJDQCN-UHFFFAOYSA-N |
| MDL Number | MFCD28168072 |
| Molecular Formula | C5H2N4 |
| Molecular Weight | 118.0962 |
| SMILES | N1N=C(C=C1C#N)C#N |
| Synonyms | 1H-Pyrazole-3,5-dicarbonitrile,
847573-68-6,
3,5-Dicyano-1H-pyrazole,
SCHEMBL3294254,
MFCD28168072,
ZINC166756414,
FCH2910551,
AK174608,
AS-40317,
ACN-046746,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.099g/mol |
| Monoisotopic Mass | 118.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 76.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number