| CAS Number | 1266615-39-7 |
| Catalog Number | AG01AP6T |
| Chemical Name | 5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole |
| IUPAC Name | 5-chloro-3-methyl-1-(4-methylphenyl)pyrazole |
| InChI | InChI=1S/C11H11ClN2/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,1-2H3 |
| InChI Key | ZRGQBIQPLBQTJF-UHFFFAOYSA-N |
| MDL Number | MFCD21667525 |
| Molecular Formula | C11H11ClN2 |
| Molecular Weight | 206.6714 |
| SMILES | CC1=NN(C2=CC=C(C)C=C2)C(Cl)=C1 |
| Synonyms | 5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole,
1266615-39-7,
ZINC85018770,
AKOS015362752,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.673g/mol |
| Monoisotopic Mass | 206.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number