| CAS Number | 81577-07-3 |
| Catalog Number | AG019CM2(AGN-PC-0WBRV8) |
| Chemical Name | 1-Chloro-4-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 1-chloro-4-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H6ClF3/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2 |
| InChI Key | SLKTYKYFICQXID-UHFFFAOYSA-N |
| MDL Number | MFCD14525515 |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.5814 |
| SMILES | C1C(CC(F)(F)F)=CC=C(Cl)C=1 |
| Synonyms | 1-chloro-4-(2,2,2-trifluoroethyl)benzene,
81577-07-3,
SCHEMBL462327,
DTXSID70672359,
ZX-AP009600,
ZINC72265647,
AKOS005257907,
FCH1138858,
PC49553,
1-(2,2,2-Trifluoroethyl)-4-chlorobenzene,
2-(4-Chlorophenyl)-1,1,1-trifluoroethane,
|
| Complexity | 136 |
| 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 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number