| CAS Number | 1092712-24-7 |
| Catalog Number | AG01EQQC(AGN-PC-3H47BB) |
| Chemical Name | 1-(2,5-difluorophenyl)-2,2,2-trifluoroethan-1-one |
| IUPAC Name | 1-(2,5-difluorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H3F5O/c9-4-1-2-6(10)5(3-4)7(14)8(11,12)13/h1-3H |
| InChI Key | OLRYUAJEQRSZFH-UHFFFAOYSA-N |
| MDL Number | MFCD07380754 |
| Molecular Formula | C8H3F5O |
| Molecular Weight | 210.1008 |
| SMILES | FC1=CC(C(C(F)(F)F)=O)=C(F)C=C1 |
| Synonyms | 1-(2,5-Difluoro-phenyl)-2,2,2-trifluoro-ethanone,
1092712-24-7,
CTK7B8546,
AKOS005259441,
ZINC100509098,
1-(2,5-DIFLUOROPHENYL)-2,2,2-TRIFLUOROETHANONE,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.103g/mol |
| Monoisotopic Mass | 210.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number