| CAS Number | 93524-64-2 |
| Catalog Number | AG01EZD7(AGN-PC-07HBEX) |
| Chemical Name | 1-Fluoro-2-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 1-fluoro-2-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H6F4/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2 |
| InChI Key | SPXLMKIFMUHCGI-UHFFFAOYSA-N |
| MDL Number | MFCD11100172 |
| Molecular Formula | C8H6F4 |
| Molecular Weight | 178.1269 |
| SMILES | C1=CC=CC(F)=C1CC(F)(F)F |
| Synonyms | 1-Fluoro-2-(2,2,2-trifluoroethyl)benzene,
93524-64-2,
CTK7C2398,
BBL100829,
STL554623,
ZINC63361049,
AKOS005255427,
TR-055143,
Y-9906,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.13g/mol |
| Monoisotopic Mass | 178.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number