| CAS Number | 1420831-53-3 |
| Catalog Number | AG01BJRH(AGN-PC-0WO00B) |
| Chemical Name | 5-iodo-1,4-dimethyl-1H-pyrazole |
| IUPAC Name | 5-iodo-1,4-dimethylpyrazole |
| InChI | InChI=1S/C5H7IN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3 |
| InChI Key | VHDLQKKWVSDXSE-UHFFFAOYSA-N |
| MDL Number | MFCD24383995 |
| Molecular Formula | C5H7IN2 |
| Molecular Weight | 222.0269 |
| SMILES | Cc1cnn(c1I)C |
| Synonyms | 5-iodo-1,4-dimethyl-1H-pyrazole,
1420831-53-3,
SCHEMBL17624316,
MFCD24383995,
ZINC95075675,
AM98530,
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| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.029g/mol |
| Monoisotopic Mass | 221.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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