| CAS Number | 1099597-62-2 |
| Catalog Number | AG01FCVM(AGN-PC-0WC0AF) |
| Chemical Name | 2,6-Difluoro-3-methylbenzotrifluoride |
| IUPAC Name | 1,3-difluoro-4-methyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5F5/c1-4-2-3-5(9)6(7(4)10)8(11,12)13/h2-3H,1H3 |
| InChI Key | ZDLOUOMJKONEAP-UHFFFAOYSA-N |
| MDL Number | MFCD11226679 |
| Molecular Formula | C8H5F5 |
| Molecular Weight | 196.1173 |
| SMILES | CC1=C(C(=C(C=C1)F)C(F)(F)F)F |
| Synonyms | 2,6-Difluoro-3-methylbenzotrifluoride,
1,3-difluoro-4-methyl-2-(trifluoromethyl)benzene,
1099597-62-2,
CTK8E9209,
BBL100979,
STL554773,
ZINC66330496,
AKOS005255861,
TR-057084,
Z-0667,
2,6-Difluoro-3-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 |
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Certificate of Analysis
Lot Number