| CAS Number | 1374032-37-7 |
| Catalog Number | AG01E7KA |
| Chemical Name | 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetic acid |
| IUPAC Name | 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetic acid |
| InChI | InChI=1S/C6H5F3N2O2/c7-6(8,9)4-1-3(10-11-4)2-5(12)13/h1H,2H2,(H,10,11)(H,12,13) |
| InChI Key | URFAHOJJROCHKD-UHFFFAOYSA-N |
| MDL Number | MFCD24502698 |
| Molecular Formula | C6H5F3N2O2 |
| Molecular Weight | 194.1113 |
| SMILES | OC(CC1NN=C(C(F)(F)F)C=1)=O |
| Synonyms | ZINC82893737,
AKOS022916896,
CS-0080515,
2-(3-trifluoromethylpyrazol-5-yl)acetic acid,
2-(5-(Trifluoromethyl)-1H-pyrazol-3-yl)acetic acid,
1374032-37-7,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.113g/mol |
| Monoisotopic Mass | 194.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Lot Number