| CAS Number | 2137587-78-9 |
| Catalog Number | AG01ELRB |
| Chemical Name | 3-(chloromethyl)-1,4-dimethyl-1H-pyrazole hydrochloride |
| IUPAC Name | 3-(chloromethyl)-1,4-dimethylpyrazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c1-5-4-9(2)8-6(5)3-7;/h4H,3H2,1-2H3;1H |
| InChI Key | CTMDVJKEWZNQOI-UHFFFAOYSA-N |
| MDL Number | MFCD31449523 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | Cl.CC1C(CCl)=NN(C)C=1 |
| Synonyms | 3-(chloromethyl)-1,4-dimethyl-1H-pyrazole hydrochloride,
2137587-78-9,
|
| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.06g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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