| CAS Number | 1214358-19-6 |
| Catalog Number | AG019CSW(AGN-PC-07QVTC) |
| Chemical Name | 2-(Difluoromethyl)-4-fluoro-1-(trifluoromethyl)benzene |
| IUPAC Name | 2-(difluoromethyl)-4-fluoro-1-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4F6/c9-4-1-2-6(8(12,13)14)5(3-4)7(10)11/h1-3,7H |
| InChI Key | LDEXMEXBAAFADX-UHFFFAOYSA-N |
| MDL Number | MFCD14698654 |
| Molecular Formula | C8H4F6 |
| Molecular Weight | 214.1078 |
| SMILES | Fc1ccc(c(c1)C(F)F)C(F)(F)F |
| Synonyms | 2-(difluoromethyl)-4-fluoro-1-(trifluoromethyl)benzene,
1214358-19-6,
2-(Difluoromethyl)-4-fluoro-1-(trifluoromethyl) benzene,
CTK7B8640,
1156AD,
BBL103895,
STL557705,
ZINC66323205,
AKOS005258239,
AJ-115947,
TR-071167,
C8H4F6,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.11g/mol |
| Monoisotopic Mass | 214.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number