| CAS Number | 1257664-95-1 |
| Catalog Number | AG000OOF(AGN-PC-0WRA3Q) |
| Chemical Name | 4-(3-Trifluoromethylphenoxy)methyltetrahydro-2H-pyran |
| IUPAC Name | 4-[[3-(trifluoromethyl)phenoxy]methyl]oxane |
| InChI | InChI=1S/C13H15F3O2/c14-13(15,16)11-2-1-3-12(8-11)18-9-10-4-6-17-7-5-10/h1-3,8,10H,4-7,9H2 |
| InChI Key | JXLRDUQXXKNUBR-UHFFFAOYSA-N |
| MDL Number | MFCD18087719 |
| Molecular Formula | C13H15F3O2 |
| Molecular Weight | 260.2522 |
| SMILES | FC(c1cccc(c1)OCC1CCOCC1)(F)F |
| Synonyms | 1257664-95-1,
4-(3-TRIFLUOROMETHYLPHENOXY)METHYLTETRAHYDRO-2H-PYRAN,
4-((3-(Trifluoromethyl)phenoxy)methyl)tetrahydro-2H-pyran,
ACMC-209b0a,
CTK4B4777,
DTXSID30682171,
ANW-18536,
MFCD18087719,
ZINC65337410,
AKOS015852729,
AJ-115136,
TR-035501,
4-{[3-(Trifluoromethyl)phenoxy]methyl}oxane,
B-2530,
I14-25376,
4-(3-Trifluoromethylphenoxy)methyl tetrahydro-2H-pyran,
2H-Pyran, tetrahydro-4-[[3-(trifluoromethyl)phenoxy]methyl]-,
4-{[3-(Trifluoromethyl)phenoxy]methyl},
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| Complexity | 249 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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