| CAS Number | 1003988-53-1 |
| Catalog Number | AG01BIGK(AGN-PC-0WBDFB) |
| Chemical Name | 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile |
| IUPAC Name | 4-iodo-1-methylpyrazole-3-carbonitrile |
| InChI | InChI=1S/C5H4IN3/c1-9-3-4(6)5(2-7)8-9/h3H,1H3 |
| InChI Key | UISLLIUBNRIIBI-UHFFFAOYSA-N |
| MDL Number | MFCD00466854 |
| Molecular Formula | C5H4IN3 |
| Molecular Weight | 233.0098 |
| SMILES | CN1N=C(C#N)C(I)=C1 |
| Synonyms | 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile,
1003988-53-1,
4-iodo-1-methylpyrazole-3-carbonitrile,
AC1LEBND,
SCHEMBL18721934,
ZINC49647,
MFCD00466854,
SBB073994,
AKOS015920832,
MCULE-7772176438,
ST008473,
CID683560,
ZINC00049647,
|
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number