| CAS Number | 1965308-68-2 |
| Catalog Number | AG01FCTH(AGN-PC-3H49NI) |
| Chemical Name | 5-Phenylpyrazine-2,3-dicarboxamidoxime |
| IUPAC Name | 2-N',3-N'-dihydroxy-5-phenylpyrazine-2,3-dicarboximidamide |
| InChI | InChI=1S/C12H12N6O2/c13-11(17-19)9-10(12(14)18-20)16-8(6-15-9)7-4-2-1-3-5-7/h1-6,19-20H,(H2,13,17)(H2,14,18) |
| InChI Key | VZXARHPXORXMBF-UHFFFAOYSA-N |
| MDL Number | MFCD28166201 |
| Molecular Formula | C12H12N6O2 |
| Molecular Weight | 272.2627 |
| SMILES | O/N=C(/c1nc(cnc1/C(=N/O)/N)c1ccccc1)\N |
| Synonyms | 5-Phenylpyrazine-2,3-dicarboxamidoxime,
1965308-68-2,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 272.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.268g/mol |
| Monoisotopic Mass | 272.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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