| CAS Number | 1152979-31-1 |
| Catalog Number | AG01DTM5 |
| Chemical Name | 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H5ClF4N2O2/c12-9-7(10(19)20)8(11(14,15)16)17-18(9)6-3-1-5(13)2-4-6/h1-4H,(H,19,20) |
| InChI Key | PCTHVBSBJVFGFD-UHFFFAOYSA-N |
| MDL Number | MFCD13656010 |
| Molecular Formula | C11H5ClF4N2O2 |
| Molecular Weight | 308.6162 |
| SMILES | OC(=O)c1c(Cl)n(nc1C(F)(F)F)-c1ccc(F)cc1 |
| Synonyms | 5-Chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid,
1152979-31-1,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.617g/mol |
| Monoisotopic Mass | 307.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number