| CAS Number | 1516303-92-6 |
| Catalog Number | AG01ALF7 |
| Chemical Name | 5-Iodo-1-methyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-iodo-1-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C5H4IN3/c1-9-5(6)4(2-7)3-8-9/h3H,1H3 |
| InChI Key | ZYZMMVPDXOHBOY-UHFFFAOYSA-N |
| MDL Number | MFCD26679083 |
| Molecular Formula | C5H4IN3 |
| Molecular Weight | 233.0098 |
| SMILES | CN1C(I)=C(C#N)C=N1 |
| Synonyms | 5-iodo-1-methyl-1H-pyrazole-4-carbonitrile,
1516303-92-6,
SCHEMBL17624317,
ZINC75843632,
AKOS023095413,
FCH2462632,
BBV-54532852,
EN300-220433,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.012g/mol |
| Monoisotopic Mass | 232.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number