| CAS Number | 1429418-75-6 |
| Catalog Number | AG01AOP6(AGN-PC-0WBEL2) |
| Chemical Name | 4-chloro-3-(chloromethyl)-1-methyl-1H-pyrazole |
| IUPAC Name | 4-chloro-3-(chloromethyl)-1-methylpyrazole |
| InChI | InChI=1S/C5H6Cl2N2/c1-9-3-4(7)5(2-6)8-9/h3H,2H2,1H3 |
| InChI Key | YVHKFTVLVITDLF-UHFFFAOYSA-N |
| MDL Number | MFCD24540504 |
| Molecular Formula | C5H6Cl2N2 |
| Molecular Weight | 165.0205 |
| SMILES | CN1N=C(CCl)C(Cl)=C1 |
| Synonyms | 4-chloro-3-(chloromethyl)-1-methyl-1H-pyrazole,
1429418-75-6,
SCHEMBL16039441,
MFCD24540504,
ZINC95098470,
AKOS024273217,
FCH2343325,
MCULE-3625436430,
EN300-232881,
4-Chloro-3-chloromethyl-1-methyl-1H-pyrazole,
|
| Complexity | 99 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.017g/mol |
| Monoisotopic Mass | 163.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number