| CAS Number | 1946818-23-0 |
| Catalog Number | AG01BR2Q |
| Chemical Name | 3-Iodo-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-iodo-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C5H5IN2O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3 |
| InChI Key | UQGWNCKMTRCVLG-UHFFFAOYSA-N |
| MDL Number | MFCD30377859 |
| Molecular Formula | C5H5IN2O |
| Molecular Weight | 236.0105 |
| SMILES | CN1C=C(C(=N1)I)C=O |
| Synonyms | 3-iodo-1-methyl-1H-pyrazole-4-carbaldehyde,
1946818-23-0,
MFCD30377859,
ZINC408717792,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.012g/mol |
| Monoisotopic Mass | 235.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number