| CAS Number | 1170981-19-7 |
| Catalog Number | AG00JFRC(AGN-PC-0WBCCJ) |
| Chemical Name | 5-(chloromethyl)-1-ethyl-1H-pyrazole |
| IUPAC Name | 5-(chloromethyl)-1-ethylpyrazole |
| InChI | InChI=1S/C6H9ClN2/c1-2-9-6(5-7)3-4-8-9/h3-4H,2,5H2,1H3 |
| InChI Key | QXLXOKBFCXKMET-UHFFFAOYSA-N |
| MDL Number | MFCD09859218 |
| Molecular Formula | C6H9ClN2 |
| Molecular Weight | 144.6021 |
| SMILES | CCN1C(CCl)=CC=N1 |
| Synonyms | 5-(chloromethyl)-1-ethyl-1H-pyrazole,
1170981-19-7,
SCHEMBL15660024,
5-(chloromethyl)-1-ethylpyrazole,
QXLXOKBFCXKMET-UHFFFAOYSA-N,
ALBB-022008,
MFCD09859218,
SBB025984,
STK352910,
ZINC12398291,
AKOS005168319,
MCULE-2001370477,
T5428,
1H-pyrazole, 5-(chloromethyl)-1-ethyl-, hydrochloride,
5-(chloromethyl)-1-ethyl-1H-pyrazole hydrochloride,
|
| 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