| CAS Number | 1332529-52-8 |
| Catalog Number | AG00HSTM(AGN-PC-0WB79K) |
| Chemical Name | 4-(Chloromethyl)-1-ethyl-1H-pyrazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-1-ethylpyrazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c1-2-9-5-6(3-7)4-8-9;/h4-5H,2-3H2,1H3;1H |
| InChI Key | YIGCJROZILJOGO-UHFFFAOYSA-N |
| MDL Number | MFCD19104828 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | N1=CC(=CN1CC)CCl.Cl |
| Synonyms | 4-(Chloromethyl)-1-ethyl-1H-pyrazole hydrochloride,
1332529-52-8,
SCHEMBL4854439,
YIGCJROZILJOGO-UHFFFAOYSA-N,
ZX-CM004493,
MFCD19104828,
AKOS027426374,
T4905,
4-(chloromethyl)-1-ethylpyrazole hydrochloride,
4-chloromethyl-1-ethyl-1H-pyrazole hydrochloride,
4-(Chloromethyl)-1-ethyl-1H-pyrazole hydrochloride, AldrichCPR,
405103-61-9,
|
| Complexity | 87.1 |
| 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 | 2 |
| 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