| CAS Number | 184358-63-2 |
| Catalog Number | AG01AOMK(AGN-PC-03EI3E) |
| Chemical Name | 5-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-(chloromethyl)-1-methyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C6H6ClF3N2/c1-12-4(3-7)2-5(11-12)6(8,9)10/h2H,3H2,1H3 |
| InChI Key | QQYVVMPHHOUVET-UHFFFAOYSA-N |
| MDL Number | MFCD20491557 |
| Molecular Formula | C6H6ClF3N2 |
| Molecular Weight | 198.5734 |
| SMILES | CN1C(CCl)=CC(C(F)(F)F)=N1 |
| Synonyms | 5-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole,
184358-63-2,
5-(chloromethyl)-1-methyl-3-(trifluoromethyl)pyrazole,
SCHEMBL1671495,
MFCD20491557,
SBB073896,
ZINC72209697,
AKOS015920780,
MCULE-9176650577,
F2198-0129,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.573g/mol |
| Monoisotopic Mass | 198.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number