| CAS Number | 1523196-85-1 |
| Catalog Number | AG01FGG0(AGN-PC-3H4AK7) |
| Chemical Name | 2-Bromo-1-[4-bromo-3-(trifluoromethyl)phenyl]ethan-1-one |
| IUPAC Name | 2-bromo-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H5Br2F3O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2 |
| InChI Key | HTCQEBPXDKYBHT-UHFFFAOYSA-N |
| MDL Number | MFCD22491116 |
| Molecular Formula | C9H5Br2F3O |
| Molecular Weight | 345.9386 |
| SMILES | BrCC(=O)c1ccc(c(c1)C(F)(F)F)Br |
| Synonyms | 4-Bromo-3-(trifluoromethyl)phenacyl bromide,
1523196-85-1,
SCHEMBL7779146,
MFCD22491116,
ZINC96373504,
AKOS020278124,
PS-9896,
2-bromo-1-(4-bromo-3-(trifluoromethyl)phenyl)ethanone,
2-bromo-1-[4-bromo-3-(trifluoromethyl)phenyl]ethan-1-one,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.864g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.941g/mol |
| Monoisotopic Mass | 343.866g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number