| CAS Number | 1056598-95-8 |
| Catalog Number | AG00HAOI(AGN-PC-0WG3WJ) |
| Chemical Name | 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole hydrochloride |
| IUPAC Name | 5-(chloromethyl)-1,3-dimethylpyrazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c1-5-3-6(4-7)9(2)8-5;/h3H,4H2,1-2H3;1H |
| InChI Key | SIEWYSZIAAUPPW-UHFFFAOYSA-N |
| MDL Number | MFCD28991743 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | Cl.CC1=NN(C)C(CCl)=C1 |
| Synonyms | 1056598-95-8,
5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole hydrochloride,
5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole HCl,
5-(chloromethyl)-1,3-dimethylpyrazole;hydrochloride,
SCHEMBL1193206,
MFCD28991743,
CS-0037561,
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| 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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Certificate of Analysis
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