| CAS Number | 1257664-99-5 |
| Catalog Number | AG000OOC(AGN-PC-0WRA3R) |
| Chemical Name | 4-(3-Trifluoromethylphenoxy)tetrahydro-2H-pyran |
| IUPAC Name | 4-[3-(trifluoromethyl)phenoxy]oxane |
| InChI | InChI=1S/C12H13F3O2/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10H,4-7H2 |
| InChI Key | DGOYASNJAXWLCO-UHFFFAOYSA-N |
| MDL Number | MFCD18087717 |
| Molecular Formula | C12H13F3O2 |
| Molecular Weight | 246.2256 |
| SMILES | FC(c1cccc(c1)OC1CCOCC1)(F)F |
| Synonyms | 1257664-99-5,
4-(3-TRIFLUOROMETHYLPHENOXY)TETRAHYDRO-2H-PYRAN,
4-(3-(Trifluoromethyl)phenoxy)tetrahydro-2H-pyran,
4-[3-(trifluoromethyl)phenoxy]oxane,
ACMC-209b0d,
CTK4B4780,
DTXSID60682169,
ANW-18539,
MFCD18087717,
ZINC65337407,
AKOS015852684,
AJ-115134,
TR-035504,
Z8987,
B-2531,
2H-Pyran, tetrahydro-4-[3-(trifluoromethyl)phenoxy]-,
I14-25373,
C12H13F3O2,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.229g/mol |
| Monoisotopic Mass | 246.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number