| CAS Number | 1704367-13-4 |
| Catalog Number | AG01FGRQ(AGN-PC-3H4AKH) |
| Chemical Name | 1-(3-bromo-2-chloro-6-fluorophenyl)ethanone |
| IUPAC Name | 1-(3-bromo-2-chloro-6-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H5BrClFO/c1-4(12)7-6(11)3-2-5(9)8(7)10/h2-3H,1H3 |
| InChI Key | YYFAVNLVZGMNBQ-UHFFFAOYSA-N |
| MDL Number | MFCD28140553 |
| Molecular Formula | C8H5BrClFO |
| Molecular Weight | 251.4801 |
| SMILES | CC(=O)c1c(F)ccc(c1Cl)Br |
| Synonyms | 3'-Bromo-2'-chloro-6'-fluoroacetophenone,
1704367-13-4,
MFCD28140553,
ZINC169795969,
3-Bromo-2-chloro-6-fluoroacetophenone,
FCH2903056,
PC53027,
PS-10135,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.479g/mol |
| Monoisotopic Mass | 249.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number