| CAS Number | 1946813-73-5 |
| Catalog Number | AG01DW4Q |
| Chemical Name | 3-iodo-1-(propan-2-yl)-1h-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-iodo-1-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C7H9IN2O/c1-5(2)10-3-6(4-11)7(8)9-10/h3-5H,1-2H3 |
| InChI Key | CGVGHDUFRSJPOV-UHFFFAOYSA-N |
| MDL Number | MFCD30377866 |
| Molecular Formula | C7H9IN2O |
| Molecular Weight | 264.0636 |
| SMILES | CC(N1N=C(I)C(C=O)=C1)C |
| Synonyms | 3-iodo-1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
1946813-73-5,
AKOS032958941,
ZINC408717484,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.066g/mol |
| Monoisotopic Mass | 263.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number