| CAS Number | 1390654-10-0 |
| Catalog Number | AG00J2PP(AGN-PC-0WC9A7) |
| Chemical Name | 4-(chloromethyl)-1,3-dimethyl-1H-pyrazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-1,3-dimethylpyrazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c1-5-6(3-7)4-9(2)8-5;/h4H,3H2,1-2H3;1H |
| InChI Key | WZHWDDOTSFIZOV-UHFFFAOYSA-N |
| MDL Number | MFCD01567568 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | CC1=NN(C=C1CCl)C.Cl |
| Synonyms | 4-(Chloromethyl)-1,3-dimethyl-1H-pyrazole hydrochloride,
1390654-10-0,
MFCD20441438,
AKOS030237399,
T5099,
4-(chloromethyl)-1,3-dimethyl-1H-pyrazole HCl,
4-(Chloromethyl)-1,3-dimethyl-1H-pyrazole hydrochloride, AldrichCPR,
N/A,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number