| CAS Number | 481065-99-0 |
| Catalog Number | AG01BJ06(AGN-PC-0WBF3B) |
| Chemical Name | methyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C7H7F3N2O2/c1-12-4(6(13)14-2)3-5(11-12)7(8,9)10/h3H,1-2H3 |
| InChI Key | AIQGOQOMJUMMIX-UHFFFAOYSA-N |
| MDL Number | MFCD28140604 |
| Molecular Formula | C7H7F3N2O2 |
| Molecular Weight | 208.1379 |
| SMILES | CN1N=C(C=C1C(=O)OC)C(F)(F)F |
| Synonyms | methyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate,
481065-99-0,
SCHEMBL19994223,
ZINC75852396,
AKOS023100757,
F2198-0083,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.14g/mol |
| Monoisotopic Mass | 208.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number