| CAS Number | 56465-82-8 |
| Catalog Number | AG00EKPY |
| Chemical Name | 1-[4-(Trifluoromethoxy)phenyl]butan-1-one |
| IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]butan-1-one |
| InChI | InChI=1S/C11H11F3O2/c1-2-3-10(15)8-4-6-9(7-5-8)16-11(12,13)14/h4-7H,2-3H2,1H3 |
| InChI Key | LTDVRAOOJBROPS-UHFFFAOYSA-N |
| MDL Number | MFCD20441945 |
| Molecular Formula | C11H11F3O2 |
| Molecular Weight | 232.1990 |
| SMILES | CCCC(C1=CC=C(OC(F)(F)F)C=C1)=O |
| Synonyms | 1-[4-(Trifluoromethoxy)phenyl]butan-1-one,
56465-82-8,
1-(4-(Trifluoromethoxy)phenyl)butan-1-one,
ACMC-209lso,
SCHEMBL18038016,
CTK8B1921,
DTXSID20716696,
LTDVRAOOJBROPS-UHFFFAOYSA-N,
ANW-32518,
MFCD20441945,
ZINC74937924,
AKOS015907858,
TC-121263,
V6646,
K-9997,
I14-25380,
C11H11F3O2,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.202g/mol |
| Monoisotopic Mass | 232.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number