| CAS Number | 1214326-80-3 |
| Catalog Number | AG01FBIY(AGN-PC-3H49J9) |
| Chemical Name | 2-(Difluoromethyl)-1,3,4-trifluorobenzene stabilized over potassium carbonate |
| IUPAC Name | 2-(difluoromethyl)-1,3,4-trifluorobenzene |
| InChI | InChI=1S/C7H3F5/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,7H |
| InChI Key | MNBYGCCILAZPAB-UHFFFAOYSA-N |
| MDL Number | MFCD14698642 |
| Molecular Formula | C7H3F5 |
| Molecular Weight | 182.0907 |
| SMILES | Fc1ccc(c(c1F)C(F)F)F |
| Synonyms | 2-(difluoromethyl)-1,3,4-trifluorobenzene,
1214326-80-3,
ZINC112731933,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.093g/mol |
| Monoisotopic Mass | 182.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number