| CAS Number | 439807-20-2 |
| Catalog Number | AG0072LR(AGN-PC-03KY1R) |
| Chemical Name | 2-Chloro-1-(3-(trifluoromethyl)phenyl)ethanone |
| IUPAC Name | 2-chloro-1-[3-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H6ClF3O/c10-5-8(14)6-2-1-3-7(4-6)9(11,12)13/h1-4H,5H2 |
| InChI Key | CPEDVBNSZUDGFO-UHFFFAOYSA-N |
| MDL Number | MFCD07779289 |
| Molecular Formula | C9H6ClF3O |
| Molecular Weight | 222.5915 |
| SMILES | FC(C1=CC(C(CCl)=O)=CC=C1)(F)F |
| Synonyms | 439807-20-2,
2-Chloro-1-(3-(trifluoromethyl)phenyl)ethanone,
2-chloro-1-[3-(trifluoromethyl)phenyl]ethan-1-one,
Ethanone, 2-chloro-1-[3-(trifluoromethyl)phenyl]-,
3-trifluoromethylphenyl chloromethyl ketone,
2-CHLORO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANONE,
3-TRIFLUOROMETHYLPHENACYLCHLORIDE,
SCHEMBL2379125,
CTK1C8008,
DTXSID20622768,
3-Trifluoromethylphenacyl chloride,
MFCD07779289,
ZINC39953664,
AKOS009148688,
NE48794,
3'-(Trifluoromethyl)-alpha-chloroacetophenone,
CHLOROMETHYL-(3-TRIFLUOROMETHYL)PHENYL-KETONE,
2-Chloro-5-(trifluoromethyl)acetophenone,
71648-45-8,
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| Complexity | 215 |
| 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
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Certificate of Analysis
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