| CAS Number | 1099597-68-8 |
| Catalog Number | AG01FODR(AGN-PC-0WC0AM) |
| Chemical Name | 1-Fluoro-2-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-fluoro-2-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H5F7/c10-7-2-1-6(9(14,15)16)3-5(7)4-8(11,12)13/h1-3H,4H2 |
| InChI Key | PACQMIHUZCLGNX-UHFFFAOYSA-N |
| MDL Number | MFCD11226656 |
| Molecular Formula | C9H5F7 |
| Molecular Weight | 246.1248 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)CC(F)(F)F)F |
| Synonyms | 1-FLUORO-2-(2,2,2-TRIFLUOROETHYL)-4-(TRIFLUOROMETHYL)BENZENE,
1099597-68-8,
CTK7C1190,
BBL101008,
STL554802,
ZINC66330502,
AKOS005255902,
TR-057091,
Z-0553,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.128g/mol |
| Monoisotopic Mass | 246.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number