| CAS Number | 1313410-14-8 |
| Catalog Number | AG00J2P3 |
| Chemical Name | 3-(Chloromethyl)-1-ethyl-1H-pyrazole hydrochloride |
| IUPAC Name | 3-(chloromethyl)-1-ethylpyrazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c1-2-9-4-3-6(5-7)8-9;/h3-4H,2,5H2,1H3;1H |
| InChI Key | ORRXOKMLCURUCL-UHFFFAOYSA-N |
| MDL Number | MFCD28024761 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | N1=C(CCl)C=CN1CC.Cl |
| Synonyms | 3-(chloromethyl)-1-ethyl-1H-pyrazole hydrochloride,
1313410-14-8,
SCHEMBL2052546,
ORRXOKMLCURUCL-UHFFFAOYSA-N,
ZX-CM010313,
MFCD28024761,
3-(Chloromethyl)-1-ethyl-1H-pyrazole hydrochloride, AldrichCPR,
1172973-66-8,
|
| 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