| CAS Number | 1152623-73-8 |
| Catalog Number | AG01A65X(AGN-PC-0WNNIM) |
| Chemical Name | 5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C6H5Cl2F3N2/c1-13-5(8)3(2-7)4(12-13)6(9,10)11/h2H2,1H3 |
| InChI Key | YCZXEKXZNMMTDA-UHFFFAOYSA-N |
| MDL Number | MFCD11105013 |
| Molecular Formula | C6H5Cl2F3N2 |
| Molecular Weight | 233.0185 |
| SMILES | CN1C(Cl)=C(CCl)C(C(F)(F)F)=N1 |
| Synonyms | 1152623-73-8,
5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole,
5-CHLORO-4-CHLOROMETHYL-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE,
SCHEMBL16371935,
CTK6H6406,
MFCD11105013,
SBB098018,
ZINC34975496,
AKOS009333765,
NE28784,
5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)pyrazole,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.015g/mol |
| Monoisotopic Mass | 231.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number