| CAS Number | 333363-79-4 |
| Catalog Number | AG00CLP2(AGN-PC-00PK8N) |
| Chemical Name | 1-Phenyl-5-(trifluoromethyl)pyrazole |
| IUPAC Name | 1-phenyl-5-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C10H7F3N2/c11-10(12,13)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-7H |
| InChI Key | BLXJKGWWZMVMKJ-UHFFFAOYSA-N |
| MDL Number | MFCD15142939 |
| Molecular Formula | C10H7F3N2 |
| Molecular Weight | 212.1712 |
| SMILES | FC(c1ccnn1c1ccccc1)(F)F |
| Synonyms | 1-phenyl-5-(trifluoromethyl)-1H-pyrazole,
333363-79-4,
SCHEMBL4988967,
DTXSID10573694,
ZINC34578690,
1-phenyl-5-(trifluoromethyl)pyrazole,
AKOS015901515,
ACN-000379,
1-phenyl-5-trifluoromethyl-1h-pyrazole,
5-trifluoromethyl-1-phenyl-1h-pyrazole,
ACM333363794,
AJ-89456,
AX8221579,
5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE,
I14-13852,
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| Complexity | 211 |
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number