| CAS Number | 1381952-86-8 |
| Catalog Number | AG00188S(AGN-PC-0WQUFF) |
| Chemical Name | (3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one |
| IUPAC Name | 4-[2-bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one |
| InChI | InChI=1S/C11H8BrF3O2/c1-7(16)5-6-8-9(12)3-2-4-10(8)17-11(13,14)15/h2-6H,1H3 |
| InChI Key | KHRPNNZODGRFMN-UHFFFAOYSA-N |
| MDL Number | MFCD22375109 |
| Molecular Formula | C11H8BrF3O2 |
| Molecular Weight | 309.0792 |
| SMILES | CC(=O)C=Cc1c(Br)cccc1OC(F)(F)F |
| Synonyms | 1381952-86-8,
ACMC-209ch4,
4-[2-bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one,
CTK8B0754,
DTXSID70743073,
ANW-20438,
3-Buten-2-one, 4-[2-bromo-6-(trifluoromethoxy)phenyl]-,
(3E)-4-[2-Bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.082g/mol |
| Monoisotopic Mass | 307.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number