| CAS Number | 871353-32-1 |
| Catalog Number | AG00IEDN(AGN-PC-0HHFJP) |
| Chemical Name | Ethanone, 1-(3-bromo-2-fluorophenyl)-2,2,2-trifluoro- |
| IUPAC Name | 1-(3-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H3BrF4O/c9-5-3-1-2-4(6(5)10)7(14)8(11,12)13/h1-3H |
| InChI Key | WZYRDTLSYWHILE-UHFFFAOYSA-N |
| MDL Number | MFCD25541891 |
| Molecular Formula | C8H3BrF4O |
| Molecular Weight | 271.0064 |
| SMILES | c1(cccc(c1F)Br)C(=O)C(F)(F)F |
| Synonyms | 871353-32-1,
3'-Bromo-2,2,2,2'-tetrafluoroacetophenone,
1-(3-bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-one,
1-(3-BROMO-2-FLUOROPHENYL)-2,2,2-TRIFLUOROETHANONE,
SCHEMBL2782446,
WZYRDTLSYWHILE-UHFFFAOYSA-N,
MFCD25541891,
ZINC102070475,
PS-11406,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.009g/mol |
| Monoisotopic Mass | 269.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number