| CAS Number | 741290-08-4 |
| Catalog Number | AG01BHBQ(AGN-PC-03BGRJ) |
| Chemical Name | 1-(2,2-Diethoxyethoxy)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(2,2-diethoxyethoxy)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C13H17F3O3/c1-3-17-12(18-4-2)9-19-11-7-5-10(6-8-11)13(14,15)16/h5-8,12H,3-4,9H2,1-2H3 |
| InChI Key | QGKODZVXSMOOBS-UHFFFAOYSA-N |
| MDL Number | MFCD18989309 |
| Molecular Formula | C13H17F3O3 |
| Molecular Weight | 278.2675 |
| SMILES | CCOC(OCC)COC1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | 1-(2,2-diethoxyethoxy)-4-(trifluoromethyl)benzene,
741290-08-4,
SCHEMBL6828016,
QGKODZVXSMOOBS-UHFFFAOYSA-N,
ZINC75914387,
AKOS012939248,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.271g/mol |
| Monoisotopic Mass | 278.113g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number