| CAS Number | 93242-63-8 |
| Catalog Number | AG00H1XT(AGN-PC-01MHTO) |
| Chemical Name | 3-Chloro-2-methylbenzotrifluoride |
| IUPAC Name | 1-chloro-2-methyl-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6ClF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3 |
| InChI Key | FTRZFXRAAPUAQM-UHFFFAOYSA-N |
| MDL Number | MFCD11226662 |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.5814 |
| SMILES | c1(cccc(c1C)C(F)(F)F)Cl |
| Synonyms | 3-Chloro-2-methylbenzotrifluoride,
93242-63-8,
1-Chloro-2-methyl-3-(trifluoromethyl)benzene,
SCHEMBL11950652,
CTK8E8324,
2-Chloro-6-(trifluoromethyl)toluene,
3539AF,
BBL101018,
MFCD11226662,
STL554812,
ZINC66330469,
AKOS005255927,
FS-5077,
TR-057061,
FT-0727484,
X-3958,
C8H6ClF3,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.581g/mol |
| Monoisotopic Mass | 194.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number