| CAS Number | 1099597-48-4 |
| Catalog Number | AG01FB5G(AGN-PC-0WC0A3) |
| Chemical Name | 6-Chloro-2-fluoro-3-methylbenzotrifluoride |
| IUPAC Name | 1-chloro-3-fluoro-4-methyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5ClF4/c1-4-2-3-5(9)6(7(4)10)8(11,12)13/h2-3H,1H3 |
| InChI Key | OXDBCVFGACYJMJ-UHFFFAOYSA-N |
| MDL Number | MFCD11226667 |
| Molecular Formula | C8H5ClF4 |
| Molecular Weight | 212.5719 |
| SMILES | Clc1ccc(c(c1C(F)(F)F)F)C |
| Synonyms | 6-Chloro-2-fluoro-3-methylbenzotrifluoride,
1-chloro-3-fluoro-4-methyl-2-(trifluoromethyl)benzene,
1099597-48-4,
CTK8E8254,
BBL101028,
STL554822,
ZINC66330479,
AKOS005255960,
TC-062671,
Z-0016,
4-Pentenamide, 5-chloro-N,N-dimethyl-2-(1-methylethyl)-, (2S,4E)-,
324519-68-8,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.572g/mol |
| Monoisotopic Mass | 212.002g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number