| CAS Number | 213594-77-5 |
| Catalog Number | AG019W46 |
| Chemical Name | 3,3,3-Trifluoro-1-(4-fluorophenyl)propan-1-one |
| IUPAC Name | 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-one |
| InChI | InChI=1S/C9H6F4O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2 |
| InChI Key | FWDLSJLKYUHRED-UHFFFAOYSA-N |
| MDL Number | MFCD11105473 |
| Molecular Formula | C9H6F4O |
| Molecular Weight | 206.1370 |
| SMILES | C1=CC(=CC=C1C(=O)CC(F)(F)F)F |
| Synonyms | 3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-one,
213594-77-5,
SCHEMBL2074862,
ZINC34976517,
NE25953,
beta,beta,beta,4'-Tetrafluoropropiophenone,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.14g/mol |
| Monoisotopic Mass | 206.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number