| CAS Number | 319-34-6 |
| Catalog Number | AG00CTQ0(AGN-PC-03LBAV) |
| Chemical Name | 1-(2,4-difluorophenyl)-2-fluoroethanone |
| IUPAC Name | 1-(2,4-difluorophenyl)-2-fluoroethanone |
| InChI | InChI=1S/C8H5F3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 |
| InChI Key | LEDMQAHXIMUXGU-UHFFFAOYSA-N |
| MDL Number | MFCD24692838 |
| Molecular Formula | C8H5F3O |
| Molecular Weight | 174.1199 |
| SMILES | C(=O)(CF)c1c(F)cc(F)cc1 |
| Synonyms | 319-34-6,
1-(2,4-DIFLUOROPHENYL)-2-FLUOROETHAN-1-ONE,
SCHEMBL8584,
Ethanone, 1-(2,4-difluorophenyl)-2-fluoro- (9CI),
2,2',4'-Trifluoroacetophenone,
CTK8I1745,
LEDMQAHXIMUXGU-UHFFFAOYSA-N,
Ethanone,1- -2-fluoro-,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.122g/mol |
| Monoisotopic Mass | 174.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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