| CAS Number | 121194-35-2 |
| Catalog Number | AG009YC4 |
| Chemical Name | 3,3,3-Trifluoro-1-(4-methoxyphenyl)propan-1-one |
| IUPAC Name | 3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-one |
| InChI | InChI=1S/C10H9F3O2/c1-15-8-4-2-7(3-5-8)9(14)6-10(11,12)13/h2-5H,6H2,1H3 |
| InChI Key | GOFCPSIUECQOSH-UHFFFAOYSA-N |
| MDL Number | MFCD11105550 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | COC1=CC=C(C(CC(F)(F)F)=O)C=C1 |
| Synonyms | 3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-one,
121194-35-2,
AC1Q49OX,
ZINC34566359,
AKOS009346599,
MCULE-3265460567,
EN300-68823,
4'-Methoxy-beta,beta,beta-trifluoropropiophenone,
Z1258721212,
CID11458621,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number