| CAS Number | 1909324-91-9 |
| Catalog Number | AG01C1MC |
| Chemical Name | 7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazole |
| IUPAC Name | 7-iodo-2,3-dihydro-1H-imidazo[1,2-b]pyrazole |
| InChI | InChI=1S/C5H6IN3/c6-4-3-8-9-2-1-7-5(4)9/h3,7H,1-2H2 |
| InChI Key | RKXGRNFCLSOQKL-UHFFFAOYSA-N |
| MDL Number | MFCD29047360 |
| Molecular Formula | C5H6IN3 |
| Molecular Weight | 235.0257 |
| SMILES | IC1=C2N(CCN2)N=C1 |
| Synonyms | 7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazole,
1909324-91-9,
ZINC299805513,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.028g/mol |
| Monoisotopic Mass | 234.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number