| CAS Number | 57132-19-1 |
| Catalog Number | AG00EQXP(AGN-PC-0LOSW2) |
| Chemical Name | 2-Butanone, 4-[4-(trifluoroMethyl)phenyl]- |
| IUPAC Name | 4-[4-(trifluoromethyl)phenyl]butan-2-one |
| InChI | InChI=1S/C11H11F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-7H,2-3H2,1H3 |
| InChI Key | YWQOPLJHSOZSAT-UHFFFAOYSA-N |
| MDL Number | MFCD00156405 |
| Molecular Formula | C11H11F3O |
| Molecular Weight | 216.1996 |
| SMILES | CC(CCC1=CC=C(C(F)(F)F)C=C1)=O |
| Synonyms | 4-[4-(trifluoromethyl)phenyl]butan-2-one,
57132-19-1,
2-Butanone, 4-[4-(trifluoromethyl)phenyl]-,
AC1NQQ2D,
AC1Q1K5D,
SCHEMBL266389,
CTK1E1244,
DTXSID20411492,
ZINC3080675,
AKOS010959609,
4-[4-(Trifluoromethyl)phenyl]-2-butanone,
EN300-65781,
CID5226853,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.203g/mol |
| Monoisotopic Mass | 216.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number