| CAS Number | 239107-26-7 |
| Catalog Number | AG00BJ6B(AGN-PC-0WAK12) |
| Chemical Name | 4'-FLUORO-2'-(TRIFLUOROMETHYL)PROPIOPHENONE |
| IUPAC Name | 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one |
| InChI | InChI=1S/C10H8F4O/c1-2-9(15)7-4-3-6(11)5-8(7)10(12,13)14/h3-5H,2H2,1H3 |
| InChI Key | QKLZDUZBHFEOPR-UHFFFAOYSA-N |
| MDL Number | MFCD00061263 |
| Molecular Formula | C10H8F4O |
| Molecular Weight | 220.1635 |
| SMILES | CCC(=O)C1=CC=C(F)C=C1C(F)(F)F |
| Synonyms | 4'-Fluoro-2'-(trifluoromethyl)propiophenone,
239107-26-7,
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one,
1-(4-Fluoro-2-(trifluoromethyl)phenyl)propan-1-one,
4-Fluoro-2-(trifluoromethyl)propiophenone,
AC1MC7KT,
Intermediates-ZCF02645,
SCHEMBL2028898,
CTK6C6520,
ZINC4334564,
MFCD00061263,
SBB095925,
AKOS027252679,
BC248094,
PS-11286,
CS-0061425,
ZINC04334564,
CID2737615,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.167g/mol |
| Monoisotopic Mass | 220.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number