| CAS Number | 537050-11-6 |
| Catalog Number | AG00DCA2(AGN-PC-0KKZ4G) |
| Chemical Name | 2-Fluoro-3-(trifluoromethyl)phenacyl bromide |
| IUPAC Name | 2-bromo-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H5BrF4O/c10-4-7(15)5-2-1-3-6(8(5)11)9(12,13)14/h1-3H,4H2 |
| InChI Key | HFALZDRQGOFSDO-UHFFFAOYSA-N |
| MDL Number | MFCD03094504 |
| Molecular Formula | C9H5BrF4O |
| Molecular Weight | 285.0330 |
| SMILES | FC1=C(C=CC=C1C(F)(F)F)C(=O)CBr |
| Synonyms | 2-Fluoro-3-(trifluoromethyl)phenacyl bromide,
537050-11-6,
2-bromo-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone,
AC1MCU1G,
SCHEMBL1198865,
CTK5I9305,
HFALZDRQGOFSDO-UHFFFAOYSA-N,
ZINC2243362,
MFCD03094504,
AKOS025295437,
PS-9886,
RT-007759,
V6488,
2-Bromo-2'-fluoro-3'-(trifluoromethyl)acetophenone,
2-bromo-1-(2-fluoro-3-trifluoromethyl-phenyl)-ethanone,
2-Bromo-1-[2-fluoro-3-(trifluoromethyl)]ethan-1-one,
Ethanone, 2-bromo-1-[2-fluoro-3-(trifluoromethyl)phenyl]-,
C9H5BrF4O,
CID2778779,
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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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