| CAS Number | 797798-26-6 |
| Catalog Number | AG01BCIQ(AGN-PC-0OIAE9) |
| Chemical Name | 3-Chloro-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-chloro-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C5H5ClN2O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3 |
| InChI Key | OLVAYPUPZXSZFO-UHFFFAOYSA-N |
| MDL Number | MFCD22572495 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | O=CC1=CN(N=C1Cl)C |
| Synonyms | 3-chloro-1-methyl-1H-pyrazole-4-carbaldehyde,
797798-26-6,
1H-Pyrazole-4-carboxaldehyde, 3-chloro-1-methyl-,
ZINC74343274,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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