| CAS Number | 1172973-66-8 |
| Catalog Number | AG00HDX4(AGN-PC-0WB6VC) |
| Chemical Name | 3-(Chloromethyl)-1-ethyl-1h-pyrazole hydrochloride |
| IUPAC Name | 3-(chloromethyl)-1-ethylpyrazole |
| InChI | InChI=1S/C6H9ClN2/c1-2-9-4-3-6(5-7)8-9/h3-4H,2,5H2,1H3 |
| InChI Key | JFTKEYVZGCCFHT-UHFFFAOYSA-N |
| MDL Number | MFCD09834155 |
| Molecular Formula | C6H9ClN2 |
| Molecular Weight | 144.6021 |
| SMILES | CCN1N=C(CCl)C=C1 |
| Synonyms | 3-(chloromethyl)-1-ethyl-1H-pyrazole,
1172973-66-8,
SCHEMBL2042375,
3-(chloromethyl)-1-ethylpyrazole,
JFTKEYVZGCCFHT-UHFFFAOYSA-N,
ALBB-021619,
9923AC,
MFCD09834155,
SBB025730,
STK352658,
ZINC12397779,
AKOS005168608,
MCULE-1622711629,
Y-5577,
3-(Chloromethyl)-1-ethyl-1H-pyrazole, AldrichCPR,
1H-pyrazole, 3-(chloromethyl)-1-ethyl- hydrochloride,
C6H9ClN2,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.602g/mol |
| Monoisotopic Mass | 144.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number