| CAS Number | 2089258-09-1 |
| Catalog Number | AG01E8R0 |
| Chemical Name | 1-{7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazol-1-yl}ethan-1-one |
| IUPAC Name | 1-(7-iodo-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)ethanone |
| InChI | InChI=1S/C7H8IN3O/c1-5(12)10-2-3-11-7(10)6(8)4-9-11/h4H,2-3H2,1H3 |
| InChI Key | COJYAKUOGRNFRN-UHFFFAOYSA-N |
| MDL Number | MFCD30724202 |
| Molecular Formula | C7H8IN3O |
| Molecular Weight | 277.0624 |
| SMILES | CC(N1C2N(N=CC=2I)CC1)=O |
| Synonyms | 1-{7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazol-1-yl}ethan-1-one,
AKOS033865975,
ZINC411056871,
Z2325899522,
2089258-09-1,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.065g/mol |
| Monoisotopic Mass | 276.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number