| CAS Number | 1099597-43-9 |
| Catalog Number | AG01F965(AGN-PC-0WC09Z) |
| Chemical Name | 4-Chloro-3-fluoro-1,2-bis(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-2-fluoro-3,4-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H2ClF7/c9-4-2-1-3(7(11,12)13)5(6(4)10)8(14,15)16/h1-2H |
| InChI Key | RSGXVUJZLLOLMX-UHFFFAOYSA-N |
| MDL Number | MFCD11226663 |
| Molecular Formula | C8H2ClF7 |
| Molecular Weight | 266.5433 |
| SMILES | C1=CC(=C(C(=C1C(F)(F)F)C(F)(F)F)F)Cl |
| Synonyms | 1-Chloro-2-fluoro-3,4-bis-(trifluoromethyl)benzene,
1099597-43-9,
1-chloro-2-fluoro-3,4-bis(trifluoromethyl)benzene,
4-Chloro-3-fluoro-1,2-bis(trifluoromethyl)benzene,
CTK6G8843,
BBL102326,
STL556126,
ZINC66330471,
AKOS005255928,
TR-057063,
Z-0121,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.543g/mol |
| Monoisotopic Mass | 265.973g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number