| CAS Number | 1221272-93-0 |
| Catalog Number | AG01FCZ4(AGN-PC-0WC90D) |
| Chemical Name | 4-Chloro-2,6-difluorobenzotrifluoride |
| IUPAC Name | 5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2ClF5/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H |
| InChI Key | SGJLWILHBZITFS-UHFFFAOYSA-N |
| MDL Number | MFCD16140186 |
| Molecular Formula | C7H2ClF5 |
| Molecular Weight | 216.5358 |
| SMILES | FC(c1c(F)cc(cc1F)Cl)(F)F |
| Synonyms | 4-Chloro-2,6-difluorobenzotrifluoride,
1221272-93-0,
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene,
ZINC67794489,
AKOS005258181,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.535g/mol |
| Monoisotopic Mass | 215.977g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number