| CAS Number | 331460-78-7 |
| Catalog Number | AG00IWT6(AGN-PC-0WB08V) |
| Chemical Name | 4-[3-(4-fluorophenyl)-3-oxo-1-propenyl]phenyl 2-phenylacetate |
| IUPAC Name | [4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] 2-phenylacetate |
| InChI | InChI=1S/C23H17FO3/c24-20-11-9-19(10-12-20)22(25)15-8-17-6-13-21(14-7-17)27-23(26)16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+ |
| InChI Key | GPWDALCEWBXTSS-OVCLIPMQSA-N |
| MDL Number | MFCD00169555 |
| Molecular Formula | C23H17FO3 |
| Molecular Weight | 360.3777 |
| SMILES | FC3(=CC=C(C(=O)C=CC2(=CC=C(OC(=O)CC1(=CC=CC=C1))C=C2))C=C3) |
| Synonyms | 331460-78-7,
4-[3-(4-fluorophenyl)-3-oxo-1-propenyl]phenyl 2-phenylacetate,
AC1O1XYW,
ZINC4118310,
AKOS005107062,
JS-0513,
[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] 2-phenylacetate,
4-[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]phenyl 2-phenylacetate,
ZINC04118310,
CID6184836,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 360.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.384g/mol |
| Monoisotopic Mass | 360.116g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number