| CAS Number | 1093881-63-0 |
| Catalog Number | AG00HBGF(AGN-PC-0WBDAX) |
| Chemical Name | 4-(2-chloroethyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 4-(2-chloroethyl)-1-methylpyrazole |
| InChI | InChI=1S/C6H9ClN2/c1-9-5-6(2-3-7)4-8-9/h4-5H,2-3H2,1H3 |
| InChI Key | OAYGXNCRHZTQEB-UHFFFAOYSA-N |
| MDL Number | MFCD16824702 |
| Molecular Formula | C6H9ClN2 |
| Molecular Weight | 144.6021 |
| SMILES | CN1N=CC(CCCl)=C1 |
| Synonyms | 4-(2-chloroethyl)-1-methyl-1H-pyrazole,
1093881-63-0,
SCHEMBL3509236,
OAYGXNCRHZTQEB-UHFFFAOYSA-N,
ALBB-028852,
4-(2-chloroethyl)-1-methylpyrazole,
MFCD16824702,
SBB073778,
ZINC60711241,
AKOS011896723,
MCULE-1011915806,
NE19169,
DA-15640,
1H-pyrazole, 4-(2-chloroethyl)-1-methyl-,
FT-0722185,
|
| 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 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number