| CAS Number | 169295-54-9 |
| Catalog Number | AG019EO6 |
| Chemical Name | 2,2,2-Trifluoro-1-(4-Methoxy-naphthalen-1-yl)-ethanone |
| IUPAC Name | 2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanone |
| InChI | InChI=1S/C13H9F3O2/c1-18-11-7-6-10(12(17)13(14,15)16)8-4-2-3-5-9(8)11/h2-7H,1H3 |
| InChI Key | QDUIAIPDAPNCBE-UHFFFAOYSA-N |
| MDL Number | MFCD07380807 |
| Molecular Formula | C13H9F3O2 |
| Molecular Weight | 254.2046 |
| SMILES | COc1ccc(c2c1cccc2)C(=O)C(F)(F)F |
| Synonyms | 2,2,2-Trifluoro-1-(4-Methoxy-naphthalen-1-yl)-ethanone,
169295-54-9,
AKOS020008651,
CS-0059730,
2,2,2-Trifluoro-1-(4-methoxynaphthalen-1-yl)ethan-1-one,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.208g/mol |
| Monoisotopic Mass | 254.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number