| CAS Number | 186297-56-3 |
| Catalog Number | AG00ALKL(AGN-PC-03LC7H) |
| Chemical Name | 2-Fluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-one |
| IUPAC Name | 2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H6F4O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2 |
| InChI Key | WOXTWIBVCMHTSZ-UHFFFAOYSA-N |
| MDL Number | MFCD13173059 |
| Molecular Formula | C9H6F4O |
| Molecular Weight | 206.1370 |
| SMILES | FCC(C1=CC=C(C(F)(F)F)C=C1)=O |
| Synonyms | 186297-56-3,
2-Fluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-one,
Ethanone, 2-fluoro-1-[4-(trifluoromethyl)phenyl]- (9CI),
SCHEMBL2074662,
2-FLUORO-1-[4-(TRIFLUOROMETHYL)PHENYL]-ETHANONE,
CTK8H3787,
DTXSID00623096,
ZINC39055421,
alpha-Fluoro-4'-(trifluoromethyl)acetophenone,
2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanone,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number