| CAS Number | 1092712-19-0 |
| Catalog Number | AG01F8O0(AGN-PC-3H49AH) |
| Chemical Name | 2,2,2-Trifluoro-1-(2,4,6-trifluoro-phenyl)-ethanone |
| IUPAC Name | 2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethanone |
| InChI | InChI=1S/C8H2F6O/c9-3-1-4(10)6(5(11)2-3)7(15)8(12,13)14/h1-2H |
| InChI Key | ZPDGQFMOKUFGSK-UHFFFAOYSA-N |
| MDL Number | MFCD12547805 |
| Molecular Formula | C8H2F6O |
| Molecular Weight | 228.0913 |
| SMILES | C(=O)(C(F)(F)F)c1c(F)cc(F)cc1F |
| Synonyms | 2,2,2-Trifluoro-1-(2,4,6-trifluoro-phenyl)-ethanone,
1092712-19-0,
ZINC40571470,
AKOS017552323,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.093g/mol |
| Monoisotopic Mass | 228.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number