| CAS Number | 1257665-21-6 |
| Catalog Number | AG000OOU(AGN-PC-0WRA3T) |
| Chemical Name | 2-(3-Trifluoromethylphenoxy)methyltetrahydro-2H-pyran |
| IUPAC Name | 2-[[3-(trifluoromethyl)phenoxy]methyl]oxane |
| InChI | InChI=1S/C13H15F3O2/c14-13(15,16)10-4-3-6-11(8-10)18-9-12-5-1-2-7-17-12/h3-4,6,8,12H,1-2,5,7,9H2 |
| InChI Key | PIVAHMJYMPDCKX-UHFFFAOYSA-N |
| MDL Number | MFCD18087716 |
| Molecular Formula | C13H15F3O2 |
| Molecular Weight | 260.2522 |
| SMILES | FC(c1cccc(c1)OCC1CCCCO1)(F)F |
| Synonyms | 1257665-21-6,
2-(3-TRIFLUOROMETHYLPHENOXY)METHYLTETRAHYDRO-2H-PYRAN,
2-((3-(Trifluoromethyl)phenoxy)methyl)tetrahydro-2H-pyran,
ACMC-209b0p,
CTK4B4793,
DTXSID00682168,
ANW-18551,
MFCD18087716,
AKOS015852752,
TR-035521,
2-{[3-(Trifluoromethyl)phenoxy]methyl}oxane,
B-2678,
I14-25375,
2-(3-Trifluoromethylphenoxy)methyl tetrahydro-2H-pyran,
2H-Pyran, tetrahydro-2-[[3-(trifluoromethyl)phenoxy]methyl]-,
2-[[3-(trifluoromethyl)phenoxy]methyl]oxane,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.256g/mol |
| Monoisotopic Mass | 260.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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