| CAS Number | 594810-90-9 |
| Catalog Number | AG00EDSE(AGN-PC-03GVBI) |
| Chemical Name | 2-Bromo-1-(2-bromo-4-fluorophenyl)ethanone |
| IUPAC Name | 2-bromo-1-(2-bromo-4-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H5Br2FO/c9-4-8(12)6-2-1-5(11)3-7(6)10/h1-3H,4H2 |
| InChI Key | AIGCKWMUTQKRNA-UHFFFAOYSA-N |
| MDL Number | MFCD11847026 |
| Molecular Formula | C8H5Br2FO |
| Molecular Weight | 295.9311 |
| SMILES | FC1=CC(Br)=C(C=C1)C(=O)CBr |
| Synonyms | 594810-90-9,
2-bromo-1-(2-bromo-4-fluorophenyl)ethanone,
2-Bromo-4-fluorophenacyl bromide,
2-Bromo-1-(2-bromo-4-fluorophenyl)ethan-1-one,
SCHEMBL615669,
DTXSID30619043,
AIGCKWMUTQKRNA-UHFFFAOYSA-N,
2,2'-Dibromo-4-fluoroacetophenone,
MFCD11847026,
ZINC71790213,
AKOS017561658,
PS-9967,
SC-32099,
2-bromo-1-(2-bromo-4-fluoro-phenyl)-ethanone,
Ethanone, 2-bromo-1-(2-bromo-4-fluorophenyl)-,
2-bromo-1-(2-bromo-4-fluoro-phenyl)ethanone,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.933g/mol |
| Monoisotopic Mass | 293.869g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number