| CAS Number | 884602-82-8 |
| Catalog Number | AG01DWSC(AGN-PC-0C8B4V) |
| Chemical Name | 4-(Perfluoroethyl)benzaldehyde |
| IUPAC Name | 4-(1,1,2,2,2-pentafluoroethyl)benzaldehyde |
| InChI | InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7-3-1-6(5-15)2-4-7/h1-5H |
| InChI Key | HZUOUAVIYNXFBB-UHFFFAOYSA-N |
| MDL Number | MFCD16987733 |
| Molecular Formula | C9H5F5O |
| Molecular Weight | 224.1274 |
| SMILES | FC(C(C1=CC=C(C=O)C=C1)(F)F)(F)F |
| Synonyms | 4-(Perfluoroethyl)benzaldehyde,
4-(Pentafluoroethyl)benzaldehyde,
884602-82-8,
4-pentafluoroethyl-benzaldehyde,
SCHEMBL2862629,
HZUOUAVIYNXFBB-UHFFFAOYSA-N,
MFCD16987733,
ZINC107281181,
Benzaldehyde, 4-(1,1,2,2,2-pentafluoroethyl)-,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.13g/mol |
| Monoisotopic Mass | 224.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number