| CAS Number | 64436-58-4 |
| Catalog Number | AG01A1KF(AGN-PC-005T47) |
| Chemical Name | 2-Methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one |
| IUPAC Name | 2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one |
| InChI | InChI=1S/C11H11F3O/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7H,1-2H3 |
| InChI Key | QEYDVOACNRUMGV-UHFFFAOYSA-N |
| MDL Number | MFCD16309307 |
| Molecular Formula | C11H11F3O |
| Molecular Weight | 216.1996 |
| SMILES | CC(C(=O)C1=CC=C(C=C1)C(F)(F)F)C |
| Synonyms | 2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one,
64436-58-4,
2-methyl-1-(4-(trifluoromethyl)phenyl)propan-1-one,
SCHEMBL8534398,
4'-(Trifluoromethyl)isobutyrophenone,
ZINC41228766,
AKOS012084018,
MCULE-7657595600,
NE47983,
Z1473994464,
CID11275955,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.203g/mol |
| Monoisotopic Mass | 216.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number