| CAS Number | 1261680-31-2 |
| Catalog Number | AG01BCLF |
| Chemical Name | 1-[2-Hydroxy-4-(trifluoromethyl)phenyl]propan-1-one |
| IUPAC Name | 1-[2-hydroxy-4-(trifluoromethyl)phenyl]propan-1-one |
| InChI | InChI=1S/C10H9F3O2/c1-2-8(14)7-4-3-6(5-9(7)15)10(11,12)13/h3-5,15H,2H2,1H3 |
| InChI Key | IIFNJVYRGAIWER-UHFFFAOYSA-N |
| MDL Number | MFCD18397727 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | CCC(C1=C(O)C=C(C(F)(F)F)C=C1)=O |
| Synonyms | 1-[2-hydroxy-4-(trifluoromethyl)phenyl]propan-1-one,
1261680-31-2,
ZINC71445488,
AKOS022516202,
2'-Hydroxy-4'-(trifluoromethyl)propiophenone,
Z2168515436,
|
| Complexity | 237 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number