| CAS Number | 35715-68-5 |
| Catalog Number | AG00I734(AGN-PC-00KPYN) |
| Chemical Name | 1H-Pyrazole, 1-[3-(trifluoromethyl)phenyl]- |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]pyrazole |
| InChI | InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-4-9(7-8)15-6-2-5-14-15/h1-7H |
| InChI Key | AWYVWLRVIUZBQI-UHFFFAOYSA-N |
| MDL Number | MFCD12192635 |
| Molecular Formula | C10H7F3N2 |
| Molecular Weight | 212.1712 |
| SMILES | c1c(cc(cc1)n1cccn1)C(F)(F)F |
| Synonyms | 35715-68-5,
1-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLE,
1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE,
SCHEMBL11286034,
AWYVWLRVIUZBQI-UHFFFAOYSA-N,
1-(m-trifluoromethylphenyl)-pyrazole,
KM3885,
ZINC35728273,
1H-Pyrazole, 1-[3-(trifluoromethyl)phenyl]-,
1-(3-(trifluoromethyl)phenyl)-1H-pyrazole,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.175g/mol |
| Monoisotopic Mass | 212.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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