| CAS Number | 886500-08-9 |
| Catalog Number | AG00GSX0(AGN-PC-0WAOBR) |
| Chemical Name | 2'-Methoxy-4'-(trifluoromethoxy)acetophenone |
| IUPAC Name | 1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanone |
| InChI | InChI=1S/C10H9F3O3/c1-6(14)8-4-3-7(5-9(8)15-2)16-10(11,12)13/h3-5H,1-2H3 |
| InChI Key | YAMJXZPRMMJVTQ-UHFFFAOYSA-N |
| MDL Number | MFCD04115964 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | COC1=C(C=CC(=C1)OC(F)(F)F)C(C)=O |
| Synonyms | 2'-METHOXY-4'-(TRIFLUOROMETHOXY)ACETOPHENONE,
886500-08-9,
1-(2-methoxy-4-(trifluoromethoxy)phenyl)ethanone,
MFCD04115964,
1-[2-Methoxy-4-(trifluoromethoxy)phenyl]ethan-1-one,
1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanone,
AC1MT1NI,
SCHEMBL2317882,
CTK6J6669,
YAMJXZPRMMJVTQ-UHFFFAOYSA-N,
ZINC2527887,
ZX-AP010405,
SBB098214,
AKOS015956992,
JS-4305,
PC49066,
1-acetyl-2-methoxy-4-(trifluoromethoxy)benzene,
CID3593493,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.174g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number