| CAS Number | 160886-90-8 |
| Catalog Number | AG001VFC(AGN-PC-02Y6PH) |
| Chemical Name | 1,4-dimethyl-1H-pyrazole-5-carbonyl chloride |
| IUPAC Name | 2,4-dimethylpyrazole-3-carbonyl chloride |
| InChI | InChI=1S/C6H7ClN2O/c1-4-3-8-9(2)5(4)6(7)10/h3H,1-2H3 |
| InChI Key | XWOXOJCVQXEPHB-UHFFFAOYSA-N |
| MDL Number | MFCD13173610 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | CC1=C(C(Cl)=O)N(C)N=C1 |
| Synonyms | 160886-90-8,
1,4-dimethyl-1H-pyrazole-5-carbonyl chloride,
2,4-dimethyl-2H-pyrazole-3-carbonyl chloride,
1H-Pyrazole-5-carbonylchloride, 1,4-dimethyl-,
SCHEMBL16963966,
CTK0H0829,
DTXSID20609473,
ZINC39056091,
AKOS026676977,
F2146-0674,
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| Complexity | 151 |
| 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 | 1.4 |
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Certificate of Analysis
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