| CAS Number | 1099598-23-8 |
| Catalog Number | AG01FOFW(AGN-PC-0WC5GQ) |
| Chemical Name | 1-Chloro-2-fluoro-3-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 1-chloro-2-fluoro-3-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H5ClF4/c9-6-3-1-2-5(7(6)10)4-8(11,12)13/h1-3H,4H2 |
| InChI Key | FGUXRTAVYNYNGW-UHFFFAOYSA-N |
| MDL Number | MFCD11226522 |
| Molecular Formula | C8H5ClF4 |
| Molecular Weight | 212.5719 |
| SMILES | FC(Cc1cccc(c1F)Cl)(F)F |
| Synonyms | 1-CHLORO-2-FLUORO-3-(2,2,2-TRIFLUOROETHYL)BENZENE,
1099598-23-8,
CTK7B7108,
BBL100908,
STL554702,
ZINC66341761,
AKOS005255744,
TR-070586,
Y-9955,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.572g/mol |
| Monoisotopic Mass | 212.002g/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