| CAS Number | 313236-80-5 |
| Catalog Number | AG00ISYL(AGN-PC-0WAT11) |
| Chemical Name | 1-(4-fluorophenyl)-3-(4-methylphenyl)-2-propen-1-one |
| IUPAC Name | 1-(4-fluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C16H13FO/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(17)10-8-14/h2-11H,1H3 |
| InChI Key | VFACJAJCQBVGDJ-UHFFFAOYSA-N |
| MDL Number | MFCD00017965 |
| Molecular Formula | C16H13FO |
| Molecular Weight | 240.2722 |
| SMILES | FC2(=CC=C(C(=O)C=CC1(=CC=C(C)C=C1))C=C2) |
| Synonyms | 313236-80-5,
1-(4-fluorophenyl)-3-(4-methylphenyl)-2-propen-1-one,
AC1MW713,
KS-00001MC5,
AKOS017085732,
MCULE-5126455732,
1-(4-fluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one,
ZINC04665059,
CID3719447,
(2E)-1-(4-fluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.277g/mol |
| Monoisotopic Mass | 240.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number