| CAS Number | 1394980-77-8 |
| Catalog Number | AG00HVMR(AGN-PC-0WR8RL) |
| Chemical Name | 3-(benzyloxy)-4-(trifluoromethyl)phenol |
| IUPAC Name | 3-phenylmethoxy-4-(trifluoromethyl)phenol |
| InChI | InChI=1S/C14H11F3O2/c15-14(16,17)12-7-6-11(18)8-13(12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2 |
| InChI Key | TTZSSWBDKYYCDX-UHFFFAOYSA-N |
| MDL Number | MFCD23110777 |
| Molecular Formula | C14H11F3O2 |
| Molecular Weight | 268.2311 |
| SMILES | Oc1ccc(c(c1)OCc1ccccc1)C(F)(F)F |
| Synonyms | 3-(BENZYLOXY)-4-(TRIFLUOROMETHYL)PHENOL,
1394980-77-8,
ZINC261494264,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.235g/mol |
| Monoisotopic Mass | 268.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number