| CAS Number | 95727-89-2 |
| Catalog Number | AG01BBWF(AGN-PC-0NKAH7) |
| Chemical Name | 2-Chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H6ClF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2 |
| InChI Key | VBXNXBARORLRRI-UHFFFAOYSA-N |
| MDL Number | MFCD14155645 |
| Molecular Formula | C9H6ClF3O |
| Molecular Weight | 222.5915 |
| SMILES | FC(C1=CC=C(C(CCl)=O)C=C1)(F)F |
| Synonyms | 95727-89-2,
2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one,
alpha-Chloro-4'-(trifluoromethyl)acetophenone,
Z2491497301,
4-(trifluoromethyl)phenyl chloromethylketone,
SCHEMBL3102483,
2-CHLORO-1-(4-(TRIFLUOROMETHYL)PHENYL)ETHANONE,
VBXNXBARORLRRI-UHFFFAOYSA-N,
ZINC39290505,
AKOS010996735,
SC-33637,
2-chloro-4'-(trifluoromethyl)acetophenone,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.591g/mol |
| Monoisotopic Mass | 222.006g/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
Certificate of Analysis
Lot Number