| CAS Number | 145914-05-2 |
| Catalog Number | AG00KS2V(AGN-PC-01XQXZ) |
| Chemical Name | 1-Chloro-2-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 1-chloro-2-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H6ClF3/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2 |
| InChI Key | WGQGWJIUZVXRKN-UHFFFAOYSA-N |
| MDL Number | MFCD11226513 |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.5814 |
| SMILES | C1(Cl)C=CC=CC=1CC(F)(F)F |
| Synonyms | 1-CHLORO-2-(2,2,2-TRIFLUOROETHYL)BENZENE,
145914-05-2,
1-chloro-2,2,2-trifluoroethylbenzene,
384-65-6,
SCHEMBL6265284,
CTK6H3258,
ZINC66329377,
AKOS005255673,
1-(2,2,2-Trifluoroethyl)-2-chlorobenzene,
TR-055189,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.581g/mol |
| Monoisotopic Mass | 194.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number