| CAS Number | 104892-58-2 |
| Catalog Number | AG007G41(AGN-PC-04PZZ5) |
| Chemical Name | 1-(3,4,5-Tribromophenyl)ethanone |
| IUPAC Name | 1-(3,4,5-tribromophenyl)ethanone |
| InChI | InChI=1S/C8H5Br3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,1H3 |
| InChI Key | INOXENYPIZJFTD-UHFFFAOYSA-N |
| MDL Number | MFCD01861397 |
| Molecular Formula | C8H5Br3O |
| Molecular Weight | 356.8367 |
| SMILES | CC(=O)c1cc(Br)c(c(c1)Br)Br |
| Synonyms | 104892-58-2,
1-(3,4,5-tribromophenyl)ethanone,
Ethanone, 1-(3,4,5-tribromophenyl)-,
ACMC-20m7pu,
CTK0D7787,
DTXSID50641028,
1-(3,4,5-Tribromophenyl)ethan-1-one,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.787g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.839g/mol |
| Monoisotopic Mass | 353.789g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number