| CAS Number | 79619-25-3 |
| Catalog Number | AG00519C(AGN-PC-0AC13S) |
| Chemical Name | 1-[4-(Trifluoromethoxy)phenyl]pentan-1-one |
| IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]pentan-1-one |
| InChI | InChI=1S/C12H13F3O2/c1-2-3-4-11(16)9-5-7-10(8-6-9)17-12(13,14)15/h5-8H,2-4H2,1H3 |
| InChI Key | ZHTPWBYULNUCMH-UHFFFAOYSA-N |
| MDL Number | MFCD20441946 |
| Molecular Formula | C12H13F3O2 |
| Molecular Weight | 246.2256 |
| SMILES | CCCCC(=O)c1ccc(cc1)OC(F)(F)F |
| Synonyms | 1-[4-(Trifluoromethoxy)phenyl]pentan-1-one,
79619-25-3,
1-(4-(Trifluoromethoxy)phenyl)pentan-1-one,
ACMC-209phr,
p-(trifluoromethoxy)valerophenone,
CTK8B2330,
DTXSID80716697,
ANW-37309,
KM1980,
MFCD20441946,
ZINC74937925,
AKOS015907859,
TC-126054,
V7801,
I14-25381,
C12H13F3O2,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.229g/mol |
| Monoisotopic Mass | 246.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number