| CAS Number | 1686102-84-0 |
| Catalog Number | AG00IMPA |
| Chemical Name | 4-[4-(Trifluoromethoxy)phenoxy]benzenemethanol |
| IUPAC Name | [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanol |
| InChI | InChI=1S/C14H11F3O3/c15-14(16,17)20-13-7-5-12(6-8-13)19-11-3-1-10(9-18)2-4-11/h1-8,18H,9H2 |
| InChI Key | YPVVIPKSYPCELD-UHFFFAOYSA-N |
| MDL Number | MFCD29058619 |
| Molecular Formula | C14H11F3O3 |
| Molecular Weight | 284.2305 |
| SMILES | OCC1=CC=C(OC2=CC=C(OC(F)(F)F)C=C2)C=C1 |
| Synonyms | 1686102-84-0,
(4-(4-(Trifluoromethoxy)phenoxy)phenyl)methanol,
SCHEMBL1747062,
AKOS027328695,
4-[4-(Trifluoromethoxy)phenoxy]benzenemethanol,
(4-(4-(2,2,2-trifluoroethyl)phenoxy)phenyl)methanol,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.234g/mol |
| Monoisotopic Mass | 284.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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