| CAS Number | 116850-34-1 |
| Catalog Number | AG01FEB6(AGN-PC-000RQ2) |
| Chemical Name | 2-Fluoro-6-methylbenzotrifluoride |
| IUPAC Name | 1-fluoro-3-methyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F4/c1-5-3-2-4-6(9)7(5)8(10,11)12/h2-4H,1H3 |
| InChI Key | BDRSGTNFYVPJFJ-UHFFFAOYSA-N |
| MDL Number | MFCD13185665 |
| Molecular Formula | C8H6F4 |
| Molecular Weight | 178.1269 |
| SMILES | Cc1cccc(c1C(F)(F)F)F |
| Synonyms | 2-Fluoro-6-methylbenzotrifluoride,
116850-34-1,
1-fluoro-3-methyl-2-(trifluoromethyl)benzene,
SCHEMBL4553968,
DTXSID20557708,
3-Fluoro-2-(trifluoromethyl)toluene,
ZINC67800051,
FT-0749770,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.13g/mol |
| Monoisotopic Mass | 178.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number