| CAS Number | 89630-28-4 |
| Catalog Number | AG003X88(AGN-PC-0061HM) |
| Chemical Name | 2-Hydroxy-1-(4-(trifluoromethyl)phenyl)ethanone |
| IUPAC Name | 2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,13H,5H2 |
| InChI Key | HVNDDPHQGGNGQI-UHFFFAOYSA-N |
| MDL Number | MFCD16616473 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | OCC(C1=CC=C(C(F)(F)F)C=C1)=O |
| Synonyms | 89630-28-4,
Ethanone, 2-hydroxy-1-[4-(trifluoromethyl)phenyl]-,
2-hydroxy-1-(4-(trifluoromethyl)phenyl)ethanone,
2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one,
ACMC-20logb,
SCHEMBL1360049,
CTK2I1280,
DTXSID30461226,
HVNDDPHQGGNGQI-UHFFFAOYSA-N,
ZINC82101969,
AKOS017549390,
2-Hydroxy-4'-trifluoromethylacetophenone,
2-hydroxy-4'-trifluoromethyl acetophenone,
SY130971,
MFCD16616473 (95%),
alpha-Hydroxy-4'-(trifluoromethyl)acetophenone,
Z1945984100,
2-Hydroxy-4 inverted exclamation mark -(trifluoromethyl)acetophenone,
CID11287169,
2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number