| CAS Number | 153085-15-5 |
| Catalog Number | AG007YAC(AGN-PC-00P6OJ) |
| Chemical Name | 1-Methyl-5-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 1-methyl-5-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H5F3N2/c1-10-4(2-3-9-10)5(6,7)8/h2-3H,1H3 |
| InChI Key | UQLANBZLKVLADA-UHFFFAOYSA-N |
| MDL Number | MFCD16619801 |
| Molecular Formula | C5H5F3N2 |
| Molecular Weight | 150.1018 |
| SMILES | FC(C1=CC=NN1C)(F)F |
| Synonyms | 1-methyl-5-(trifluoromethyl)-1H-pyrazole,
153085-15-5,
1-methyl-5-(trifluoromethyl)pyrazole,
1H-Pyrazole, 1-methyl-5-(trifluoromethyl)-,
ACMC-20n6lh,
SCHEMBL173343,
CTK0E8087,
DTXSID60572617,
MFCD16619801,
ZINC34552443,
AKOS015951481,
ACN-000378,
MCULE-6099072192,
AJ-89284,
SC-99307,
AB1010401,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.104g/mol |
| Monoisotopic Mass | 150.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number