| CAS Number | 1881295-25-5 |
| Catalog Number | AG00I28P(AGN-PC-0WR8S8) |
| Chemical Name | 5-(benzyloxy)-2-fluoro-3-(trifluoromethyl)phenol |
| IUPAC Name | 2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)phenol |
| InChI | InChI=1S/C14H10F4O2/c15-13-11(14(16,17)18)6-10(7-12(13)19)20-8-9-4-2-1-3-5-9/h1-7,19H,8H2 |
| InChI Key | OYSVVPZXPSCEGO-UHFFFAOYSA-N |
| MDL Number | MFCD29044777 |
| Molecular Formula | C14H10F4O2 |
| Molecular Weight | 286.2216 |
| SMILES | Oc1cc(OCc2ccccc2)cc(c1F)C(F)(F)F |
| Synonyms | 5-(BENZYLOXY)-2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL,
1881295-25-5,
ZINC261494063,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.226g/mol |
| Monoisotopic Mass | 286.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number