| CAS Number | 187998-56-7 |
| Catalog Number | AG019KGV |
| Chemical Name | 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C12H9F3N2O2/c1-7-10(11(18)19)6-16-17(7)9-4-2-3-8(5-9)12(13,14)15/h2-6H,1H3,(H,18,19) |
| InChI Key | GZCWUDNWNYJPDC-UHFFFAOYSA-N |
| MDL Number | MFCD09040448 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.2073 |
| SMILES | CC1N(C2=CC(C(F)(F)F)=CC=C2)N=CC=1C(O)=O |
| Synonyms | 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid,
187998-56-7,
AC1Q2EU3,
SCHEMBL6052595,
CTK7J0642,
GZCWUDNWNYJPDC-UHFFFAOYSA-N,
ZINC8728694,
1H-Pyrazole-4-carboxylic acid,5-methyl-1-[3-(trifluoromethyl)phenyl]-,
AKOS000263857,
MCULE-6029075223,
NE27352,
EN300-26898,
Z235361951,
1-(3-Trifluoromethylphenyl)-5-methylpyrazole-4-carboxylic acid,
CID10635713,
5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic Acid,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.211g/mol |
| Monoisotopic Mass | 270.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number