| CAS Number | 1935196-58-9 |
| Catalog Number | AG01FLBD(AGN-PC-3H4B3C) |
| Chemical Name | 6-chloro-3-iodo-1H-pyrazolo[3,4-b]pyrazine |
| IUPAC Name | 6-chloro-3-iodo-2H-pyrazolo[3,4-b]pyrazine |
| InChI | InChI=1S/C5H2ClIN4/c6-2-1-8-3-4(7)10-11-5(3)9-2/h1H,(H,9,10,11) |
| InChI Key | USJKPCMUIKHZAM-UHFFFAOYSA-N |
| MDL Number | MFCD26521481 |
| Molecular Formula | C5H2ClIN4 |
| Molecular Weight | 280.4536 |
| SMILES | IC1=NNC2=NC(Cl)=CN=C21 |
| Synonyms | 6-Chloro-3-iodo-1H-pyrazolo[3,4-b]pyrazine,
1935196-58-9,
SCHEMBL19641301,
ZINC238558839,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.453g/mol |
| Monoisotopic Mass | 279.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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