| CAS Number | 1245619-64-0 |
| Catalog Number | AG01F8YT(AGN-PC-3H49BA) |
| Chemical Name | 5-(3-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 3-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C10H6ClF3N2/c11-7-3-1-2-6(4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16) |
| InChI Key | TWUOPOKOMYCMSV-UHFFFAOYSA-N |
| MDL Number | MFCD07779620 |
| Molecular Formula | C10H6ClF3N2 |
| Molecular Weight | 246.6162 |
| SMILES | Clc1cccc(c1)c1[nH]nc(c1)C(F)(F)F |
| Synonyms | 5-(3-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole,
1245619-64-0,
CTK6H2421,
ZINC43463626,
5-(3-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOLE,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.617g/mol |
| Monoisotopic Mass | 246.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number