| CAS Number | 1823815-55-9 |
| Catalog Number | AG01FHGC(AGN-PC-3H4APN) |
| Chemical Name | 2'-Fluoro-6'-methoxy-4'-(trifluoromethyl)acetophenone |
| IUPAC Name | 1-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C10H8F4O2/c1-5(15)9-7(11)3-6(10(12,13)14)4-8(9)16-2/h3-4H,1-2H3 |
| InChI Key | QBUZZCDPYGZHDG-UHFFFAOYSA-N |
| MDL Number | MFCD27975466 |
| Molecular Formula | C10H8F4O2 |
| Molecular Weight | 236.1629 |
| SMILES | COc1cc(cc(c1C(=O)C)F)C(F)(F)F |
| Synonyms | 2'-Fluoro-6'-methoxy-4'-(trifluoromethyl)acetophenone,
1823815-55-9,
MFCD27975466,
ZINC97439005,
PC500327,
PS-11201,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.166g/mol |
| Monoisotopic Mass | 236.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number