| CAS Number | 1805575-98-7 |
| Catalog Number | AG01FH9X(AGN-PC-3H4AN8) |
| Chemical Name | 2-Bromo-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone |
| IUPAC Name | 2-bromo-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H4Br2ClFO/c9-3-6(13)7-5(12)2-1-4(10)8(7)11/h1-2H,3H2 |
| InChI Key | XWOVEUPYIWFSHC-UHFFFAOYSA-N |
| MDL Number | MFCD28155021 |
| Molecular Formula | C8H4Br2ClFO |
| Molecular Weight | 330.3762 |
| SMILES | BrCC(=O)c1c(F)ccc(c1Cl)Br |
| Synonyms | 3-Bromo-2-chloro-6-fluorophenacyl bromide,
1805575-98-7,
MFCD28155021,
ZINC169795970,
FCH2907074,
PC53028,
PS-9833,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.375g/mol |
| Monoisotopic Mass | 327.83g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number