| CAS Number | 223785-85-1 |
| Catalog Number | AG00I4F4(AGN-PC-0KKZ4F) |
| Chemical Name | 2-Fluoro-6-(trifluoromethyl)phenacyl bromide |
| IUPAC Name | 2-bromo-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H5BrF4O/c10-4-7(15)8-5(9(12,13)14)2-1-3-6(8)11/h1-3H,4H2 |
| InChI Key | DMNJIOWQNVZGTK-UHFFFAOYSA-N |
| MDL Number | MFCD03094503 |
| Molecular Formula | C9H5BrF4O |
| Molecular Weight | 285.0330 |
| SMILES | FC1=C(C(=O)CBr)C(=CC=C1)C(F)(F)F |
| Synonyms | 223785-85-1,
2-Fluoro-6-(trifluoromethyl)phenacyl bromide,
Ethanone, 2-bromo-1-[2-fluoro-6-(trifluoromethyl)phenyl]-,
2-bromo-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone,
2-Bromo-1-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone,
AC1MCU1D,
SCHEMBL2096065,
CTK0J6458,
DTXSID40381128,
ZINC2243361,
ZX-AP003482,
MFCD03094503,
PC8404,
AKOS025294938,
PS-9887,
RT-007792,
2-Bromo-2'-fluoro-6'-(trifluoromethyl)acetophenone,
2-bromo-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethan-1-one,
CID2778778,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.036g/mol |
| Monoisotopic Mass | 283.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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