| CAS Number | 1824647-99-5 |
| Catalog Number | AG01FHEN(AGN-PC-0WOMIU) |
| Chemical Name | 1-[2-Chloro-4-(trifluoromethoxy)phenyl]ethanone |
| IUPAC Name | 1-[2-chloro-4-(trifluoromethoxy)phenyl]ethanone |
| InChI | InChI=1S/C9H6ClF3O2/c1-5(14)7-3-2-6(4-8(7)10)15-9(11,12)13/h2-4H,1H3 |
| InChI Key | RLBYEOOYGKVSHB-UHFFFAOYSA-N |
| MDL Number | MFCD29924117 |
| Molecular Formula | C9H6ClF3O2 |
| Molecular Weight | 238.5909 |
| SMILES | CC(=O)c1ccc(cc1Cl)OC(F)(F)F |
| Synonyms | 1824647-99-5,
1-(2-Chloro-4-(trifluoromethoxy)phenyl)ethanone,
1-[2-chloro-4-(trifluoromethoxy)phenyl]ethanone,
SCHEMBL2096507,
AKOS027393781,
ZINC118019298,
PC53279,
PS-11297,
2'-Chloro-4'-(trifluoromethoxy)acetophenone,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.59g/mol |
| Monoisotopic Mass | 238.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number