| CAS Number | 1016691-66-9 |
| Catalog Number | AG01A98A |
| Chemical Name | 3-Ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde |
| IUPAC Name | 3-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde |
| InChI | InChI=1S/C11H11F3O3/c1-2-16-10-5-8(6-15)3-4-9(10)17-7-11(12,13)14/h3-6H,2,7H2,1H3 |
| InChI Key | GMZDKLDKQCRPFT-UHFFFAOYSA-N |
| MDL Number | MFCD09932269 |
| Molecular Formula | C11H11F3O3 |
| Molecular Weight | 248.1984 |
| SMILES | CCOC1=C(OCC(F)(F)F)C=CC(C=O)=C1 |
| Synonyms | 3-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde,
1016691-66-9,
AC1Q35WJ,
ZINC19434584,
AKOS000175957,
NE27486,
EN300-64446,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.201g/mol |
| Monoisotopic Mass | 248.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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