| CAS Number | 368-67-2 |
| Catalog Number | AG01EVQ1(AGN-PC-3H4811) |
| Chemical Name | 1-ethoxy-3,5-bis(trifluoromethyl)benzene |
| IUPAC Name | 1-ethoxy-3,5-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C10H8F6O/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h3-5H,2H2,1H3 |
| InChI Key | NAUCMEORLXGXLA-UHFFFAOYSA-N |
| MDL Number | MFCD28396334 |
| Molecular Formula | C10H8F6O |
| Molecular Weight | 258.1603 |
| SMILES | c1c(cc(cc1OCC)C(F)(F)F)C(F)(F)F |
| Synonyms | 3,5-Bis(trifluoromethyl)ethoxybenzene,
368-67-2,
SCHEMBL12128793,
ZINC139482941,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.163g/mol |
| Monoisotopic Mass | 258.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number