| CAS Number | 1824096-42-5 |
| Catalog Number | AG01C1J1 |
| Chemical Name | 1-(4-Fluoro-3-iodophenyl)ethan-1-one |
| IUPAC Name | 1-(4-fluoro-3-iodophenyl)ethanone |
| InChI | InChI=1S/C8H6FIO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3 |
| InChI Key | HALREDJRXQMTIU-UHFFFAOYSA-N |
| MDL Number | MFCD21340327 |
| Molecular Formula | C8H6FIO |
| Molecular Weight | 264.0355 |
| SMILES | c1(c(ccc(c1)C(=O)C)F)I |
| Synonyms | 1-(4-fluoro-3-iodophenyl)ethan-1-one,
1824096-42-5,
ZINC238142059,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.038g/mol |
| Monoisotopic Mass | 263.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number