| CAS Number | 1429321-84-5 |
| Catalog Number | AG00HWR4(AGN-PC-0WQX1X) |
| Chemical Name | 1-[2-Fluoro-3-(trifluoromethoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[2-fluoro-3-(trifluoromethoxy)phenyl]ethanone |
| InChI | InChI=1S/C9H6F4O2/c1-5(14)6-3-2-4-7(8(6)10)15-9(11,12)13/h2-4H,1H3 |
| InChI Key | QFZPOCFJEAIXKA-UHFFFAOYSA-N |
| MDL Number | MFCD23703636 |
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.1364 |
| SMILES | CC(=O)C1=C(F)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 1429321-84-5,
2'-Fluoro-3'-(trifluoromethoxy)acetophenone,
1-(2-Fluoro-3-(trifluoromethoxy)phenyl)ethanone,
1-[2-fluoro-3-(trifluoromethoxy)phenyl]ethan-1-one,
SCHEMBL12845255,
MFCD23703636,
ZINC91252007,
PS-11305,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.139g/mol |
| Monoisotopic Mass | 222.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number