| CAS Number | 2007909-19-3 |
| Catalog Number | AG01EFMU |
| Chemical Name | 1-(2-Chloro-4-(Perfluoropropan-2-Yl)-6-(Trifluoromethyl)Phenyl)-1H-Pyrazole |
| IUPAC Name | 1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]pyrazole |
| InChI | InChI=1S/C13H5ClF10N2/c14-8-5-6(10(15,12(19,20)21)13(22,23)24)4-7(11(16,17)18)9(8)26-3-1-2-25-26/h1-5H |
| InChI Key | DEGRZTBNQNZPOM-UHFFFAOYSA-N |
| MDL Number | MFCD30472125 |
| Molecular Formula | C13H5ClF10N2 |
| Molecular Weight | 414.6292 |
| SMILES | FC(F)(F)c1cc(cc(Cl)c1-n1cccn1)C(F)(C(F)(F)F)C(F)(F)F |
| Synonyms | 1-(2-Chloro-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-1H-pyrazole,
2007909-19-3,
MFCD30472125,
AKOS030628419,
ZINC498051026,
CS-0039365,
N/A,
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| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.631g/mol |
| Monoisotopic Mass | 413.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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Certificate of Analysis
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