| CAS Number | 2007916-01-8 |
| Catalog Number | AG01EFMZ |
| Chemical Name | 1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-1H-pyrazole |
| IUPAC Name | 1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazole |
| InChI | InChI=1S/C12H5Cl2F7N2/c13-7-4-6(10(15,11(16,17)18)12(19,20)21)5-8(14)9(7)23-3-1-2-22-23/h1-5H |
| InChI Key | OXQPSGKBRZXFNC-UHFFFAOYSA-N |
| MDL Number | MFCD30471865 |
| Molecular Formula | C12H5Cl2F7N2 |
| Molecular Weight | 381.0763 |
| SMILES | FC(F)(F)C(F)(c1cc(Cl)c(c(Cl)c1)-n1cccn1)C(F)(F)F |
| Synonyms | 1-(2,6-Dichloro-4-(perfluoropropan-2-yl)phenyl)-1H-pyrazole,
2007916-01-8,
SCHEMBL20240861,
MFCD30471865,
AKOS030628149,
ZINC498050741,
CS-0039568,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.075g/mol |
| Monoisotopic Mass | 379.972g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
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Certificate of Analysis
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