| CAS Number | 537050-13-8 |
| Catalog Number | AG00DKKD(AGN-PC-0WRADV) |
| Chemical Name | 4-Fluoro-2-(trifluoromethyl)phenacyl bromide |
| IUPAC Name | 2-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H5BrF4O/c10-4-8(15)6-2-1-5(11)3-7(6)9(12,13)14/h1-3H,4H2 |
| InChI Key | UODSLDBFTFFTRT-UHFFFAOYSA-N |
| MDL Number | MFCD03094508 |
| Molecular Formula | C9H5BrF4O |
| Molecular Weight | 285.0330 |
| SMILES | FC1=CC(=C(C=C1)C(=O)CBr)C(F)(F)F |
| Synonyms | 4-Fluoro-2-(trifluoromethyl)phenacyl bromide,
537050-13-8,
2-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone,
AC1MCU1Y,
SCHEMBL7786308,
CTK5I9278,
ZINC2243366,
ZX-AP003987,
MFCD03094508,
PC8409,
AKOS025295439,
PS-9889,
SC-30980,
RT-009660,
V6489,
2-Bromo-4'-fluoro-2'-(trifluoromethyl)acetophenone,
2-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethan-1-one,
2-Bromo-1-[(4-fluoro-2-(trifluoromethyl)phenyl]ethan-1-one,
C9H5BrF4O,
CID2778785,
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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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