| CAS Number | 1564713-64-9 |
| Catalog Number | AG01BVFC |
| Chemical Name | 3-Fluoro-2-(2,2,2-trifluoroethoxy)benzaldehyde |
| IUPAC Name | 3-fluoro-2-(2,2,2-trifluoroethoxy)benzaldehyde |
| InChI | InChI=1S/C9H6F4O2/c10-7-3-1-2-6(4-14)8(7)15-5-9(11,12)13/h1-4H,5H2 |
| InChI Key | HOZSGAKRDRTJAB-UHFFFAOYSA-N |
| MDL Number | MFCD26056426 |
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.1364 |
| SMILES | FC1=C(OCC(F)(F)F)C(C=O)=CC=C1 |
| Synonyms | 3-Fluoro-2-(2,2,2-trifluoroethoxy)benzaldehyde,
1564713-64-9,
ZINC159490151,
A1-08247,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.139g/mol |
| Monoisotopic Mass | 222.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number