| CAS Number | 716-25-6 |
| Catalog Number | AG019D9C(AGN-PC-0WBSN3) |
| Chemical Name | 4-Methyl-1,2-bis-(trifluoromethyl)benzene |
| IUPAC Name | 4-methyl-1,2-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)7(4-5)9(13,14)15/h2-4H,1H3 |
| InChI Key | ZLZIWTFMKQRYNZ-UHFFFAOYSA-N |
| MDL Number | MFCD14525508 |
| Molecular Formula | C9H6F6 |
| Molecular Weight | 228.1344 |
| SMILES | Cc1ccc(c(c1)C(F)(F)F)C(F)(F)F |
| Synonyms | 716-25-6,
4-Methyl-1,2-bis-(trifluoromethyl)benzene,
4-methyl-1,2-bis(trifluoromethyl)benzene,
3,4-Bis(trifluoromethyl)toluene,
SCHEMBL4273522,
DTXSID90605609,
ZX-AP012364,
8621AE,
BBL101297,
STL555093,
ZINC59995513,
AKOS005258061,
PC50098,
1,2-Bis(trifluoromethyl)-4-methylbenzene,
Z-0055,
C9H6F6,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.137g/mol |
| Monoisotopic Mass | 228.037g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number