| CAS Number | 1032506-87-8 |
| Catalog Number | AG01BPJK |
| Chemical Name | 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde |
| IUPAC Name | 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde |
| InChI | InChI=1S/C14H8F4O/c15-13-6-5-11(7-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-8H |
| InChI Key | KLJVDQMXJHPTLM-UHFFFAOYSA-N |
| MDL Number | MFCD08457041 |
| Molecular Formula | C14H8F4O |
| Molecular Weight | 268.2063 |
| SMILES | FC1=C(C(F)(F)F)C=C(C2=CC=C(C=O)C=C2)C=C1 |
| Synonyms | 4'-Fluoro-3'-trifluoromethyl-biphenyl-4-carbaldehyde,
1032506-87-8,
4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde,
CTK7H9365,
ZINC36532555,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.211g/mol |
| Monoisotopic Mass | 268.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number