| CAS Number | 875306-42-6 |
| Catalog Number | AG01C3RE(AGN-PC-0OL3JJ) |
| Chemical Name | 4-(heptafluoropropan-2-yl)benzaldehyde |
| IUPAC Name | 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde |
| InChI | InChI=1S/C10H5F7O/c11-8(9(12,13)14,10(15,16)17)7-3-1-6(5-18)2-4-7/h1-5H |
| InChI Key | WYIPEGIQFRQBAA-UHFFFAOYSA-N |
| MDL Number | MFCD30344822 |
| Molecular Formula | C10H5F7O |
| Molecular Weight | 274.1349 |
| SMILES | FC(C(C(F)(F)F)(C1=CC=C(C=O)C=C1)F)(F)F |
| Synonyms | SCHEMBL3244125,
WYIPEGIQFRQBAA-UHFFFAOYSA-N,
4-(Heptafluoroisopropyl)benzaldehyde,
ZINC144379872,
4-(heptafluoropropan-2-yl)benzaldehyde,
J3.547.394G,
4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-benzaldehyde,
875306-42-6,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.138g/mol |
| Monoisotopic Mass | 274.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number