| CAS Number | 1138445-20-1 |
| Catalog Number | AG01FODX(AGN-PC-3H5NNM) |
| Chemical Name | 4-(1,1-Difluoroethyl)-1-fluoro-2-(trifluoromethyl)benzene |
| IUPAC Name | 4-(1,1-difluoroethyl)-1-fluoro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H6F6/c1-8(11,12)5-2-3-7(10)6(4-5)9(13,14)15/h2-4H,1H3 |
| InChI Key | XJEPHGWSBZJRIX-UHFFFAOYSA-N |
| MDL Number | MFCD11226712 |
| Molecular Formula | C9H6F6 |
| Molecular Weight | 228.1344 |
| SMILES | CC(C1=CC(=C(C=C1)F)C(F)(F)F)(F)F |
| Synonyms | 4-(1,1-DIFLUOROETHYL)-1-FLUORO-2-(TRIFLUOROMETHYL)BENZENE,
CTK7C1173,
BBL100981,
STL554775,
ZINC66330550,
AKOS005256116,
1138445-20-1,
TR-057142,
Y-9444,
1138444-94-6,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.037369g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.13g/mol |
| Monoisotopic Mass | 228.037369g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number