| CAS Number | 125996-99-8 |
| Catalog Number | AG000QNH(AGN-PC-0WRAE7) |
| Chemical Name | 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]pent-4-en-1-one |
| InChI | InChI=1S/C12H11F3O/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,4-6,8H,1,3,7H2 |
| InChI Key | UCVAOVDXZWAFPR-UHFFFAOYSA-N |
| MDL Number | MFCD20290692 |
| Molecular Formula | C12H11F3O |
| Molecular Weight | 228.2103 |
| SMILES | C=CCCC(=O)c1cccc(c1)C(F)(F)F |
| Synonyms | 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one,
125996-99-8,
1-(3-(Trifluoromethyl)phenyl)pent-4-en-1-one,
ACMC-209b18,
C12H11F3O,
CTK8A9610,
DTXSID00562774,
ANW-18570,
ZINC70593429,
AKOS013637453,
TC-107315,
3-(Trifluoromethyl)phenyl(3-butenyl) ketone,
Z9022,
K-1985,
4-Penten-1-one, 1-[3-(trifluoromethyl)phenyl]-,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.214g/mol |
| Monoisotopic Mass | 228.076g/mol |
| Rotatable Bond Count | 4 |
| 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