| CAS Number | 1365271-68-6 |
| Catalog Number | AG0011Z2(AGN-PC-0WRACV) |
| Chemical Name | 1-[4-(Trifluoromethoxy)phenyl]hexan-1-one |
| IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]hexan-1-one |
| InChI | InChI=1S/C13H15F3O2/c1-2-3-4-5-12(17)10-6-8-11(9-7-10)18-13(14,15)16/h6-9H,2-5H2,1H3 |
| InChI Key | ZNKDCLXIWZAKRU-UHFFFAOYSA-N |
| MDL Number | MFCD21609708 |
| Molecular Formula | C13H15F3O2 |
| Molecular Weight | 260.2522 |
| SMILES | CCCCCC(=O)c1ccc(cc1)OC(F)(F)F |
| Synonyms | 1-[4-(Trifluoromethoxy)phenyl]hexan-1-one,
1365271-68-6,
1-(4-(Trifluoromethoxy)phenyl)hexan-1-one,
ACMC-209c6j,
CTK8B0490,
DTXSID30742845,
ANW-20057,
MFCD21609708,
ZINC85477002,
TC-108802,
V2558,
1-Hexanone, 1-[4-(trifluoromethoxy)phenyl]-,
B-8745,
C13H15F3O2,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.256g/mol |
| Monoisotopic Mass | 260.102g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number