| CAS Number | 1204296-09-2 |
| Catalog Number | AG019D0Z(AGN-PC-0WBSAG) |
| Chemical Name | 2-Fluoro-1-methyl-4-(trifluoromethyl)benzene |
| IUPAC Name | 2-fluoro-1-methyl-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F4/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3 |
| InChI Key | MOTVIUSOANTTID-UHFFFAOYSA-N |
| MDL Number | MFCD13185664 |
| Molecular Formula | C8H6F4 |
| Molecular Weight | 178.1269 |
| SMILES | C1=CC(C)=C(C=C1C(F)(F)F)F |
| Synonyms | 3-Fluoro-4-methylbenzotrifluoride,
1204296-09-2,
2-fluoro-1-methyl-4-(trifluoromethyl)benzene,
2-Fluoro-4-(trifluoromethyl)toluene,
120429-60-9,
SCHEMBL1859691,
DTXSID90622351,
0947AD,
MFCD13185664,
ZINC67794615,
AKOS005257950,
FS-5410,
FT-0686357,
C8H6F4,
ACN-056241,
|
| 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