| CAS Number | 137101-74-7 |
| Catalog Number | AG01AHL7 |
| Chemical Name | 1-(2-Chlorophenyl)-2-(4-fluorophenyl)ethan-1-one |
| IUPAC Name | 1-(2-chlorophenyl)-2-(4-fluorophenyl)ethanone |
| InChI | InChI=1S/C14H10ClFO/c15-13-4-2-1-3-12(13)14(17)9-10-5-7-11(16)8-6-10/h1-8H,9H2 |
| InChI Key | JAKXQTAJSUAEJA-UHFFFAOYSA-N |
| MDL Number | MFCD12863030 |
| Molecular Formula | C14H10ClFO |
| Molecular Weight | 248.6800 |
| SMILES | FC1=CC=C(CC(C2=C(Cl)C=CC=C2)=O)C=C1 |
| Synonyms | 1-(2-chlorophenyl)-2-(4-fluorophenyl)ethan-1-one,
137101-74-7,
SCHEMBL8956100,
ZINC38078360,
AKOS010258925,
MCULE-1670855908,
NE26904,
EN300-75089,
Z1259161677,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.681g/mol |
| Monoisotopic Mass | 248.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number