| CAS Number | 1099597-95-1 |
| Catalog Number | AG01FOD9(AGN-PC-0WBZKI) |
| Chemical Name | 3,4-Difluoro-2-methylbenzotrifluoride |
| IUPAC Name | 1,2-difluoro-3-methyl-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5F5/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3 |
| InChI Key | HZYOJMACVRFOHY-UHFFFAOYSA-N |
| MDL Number | MFCD11100534 |
| Molecular Formula | C8H5F5 |
| Molecular Weight | 196.1173 |
| SMILES | Fc1ccc(c(c1F)C)C(F)(F)F |
| Synonyms | 3,4-difluoro-2-methylbenzotrifluoride,
1,2-difluoro-3-methyl-4-(trifluoromethyl)benzene,
1099597-95-1,
CTK8E9212,
BBL101751,
STL555548,
ZINC66329351,
AKOS005255470,
TR-055125,
X-4023,
3,4-Difluoro-2-methylbenzotrifluoride, AldrichCPR,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.12g/mol |
| Monoisotopic Mass | 196.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number