| CAS Number | 1306610-19-4 |
| Catalog Number | AG01C3P3 |
| Chemical Name | 4-Chloro-1,5-dimethyl-1H-pyrazole-3-carbaldehyde |
| IUPAC Name | 4-chloro-1,5-dimethylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H7ClN2O/c1-4-6(7)5(3-10)8-9(4)2/h3H,1-2H3 |
| InChI Key | UCNUIDMZVFFWBH-UHFFFAOYSA-N |
| MDL Number | MFCD22069299 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | CC1N(C)N=C(C=O)C=1Cl |
| Synonyms | 4-chloro-1,5-dimethyl-1H-pyrazole-3-carbaldehyde,
1306610-19-4,
ZINC82405595,
AKOS022715152,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.585g/mol |
| Monoisotopic Mass | 158.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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