| CAS Number | 56917-38-5 |
| Catalog Number | AG01BCE9 |
| Chemical Name | 1-[4-(2,6-difluorophenyl)phenyl]ethan-1-one |
| IUPAC Name | 1-[4-(2,6-difluorophenyl)phenyl]ethanone |
| InChI | InChI=1S/C14H10F2O/c1-9(17)10-5-7-11(8-6-10)14-12(15)3-2-4-13(14)16/h2-8H,1H3 |
| InChI Key | BYYIZFOVHMWEMX-UHFFFAOYSA-N |
| MDL Number | MFCD19076901 |
| Molecular Formula | C14H10F2O |
| Molecular Weight | 232.2254 |
| SMILES | CC(C1=CC=C(C2=C(F)C=CC=C2F)C=C1)=O |
| Synonyms | 1-[4-(2,6-difluorophenyl)phenyl]ethan-1-one,
56917-38-5,
SCHEMBL11306788,
ZINC70209978,
AKOS013355232,
Z2168282720,
1-{2',6'-difluoro-[1,1'-biphenyl]-4-yl}ethan-1-one,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.23g/mol |
| Monoisotopic Mass | 232.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Lot Number