| CAS Number | 1099597-36-0 |
| Catalog Number | AG0090TG(AGN-PC-0WBROW) |
| Chemical Name | 3-Chloro-2,6-difluorobenzotrifluoride |
| IUPAC Name | 1-chloro-2,4-difluoro-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2ClF5/c8-3-1-2-4(9)5(6(3)10)7(11,12)13/h1-2H |
| InChI Key | ZABHDJHDUYGAPB-UHFFFAOYSA-N |
| MDL Number | MFCD11226546 |
| Molecular Formula | C7H2ClF5 |
| Molecular Weight | 216.5358 |
| SMILES | C1(F)=C(Cl)C=CC(=C1C(F)(F)F)F |
| Synonyms | 3-Chloro-2,6-difluorobenzotrifluoride,
1099597-36-0,
1-chloro-2,4-difluoro-3-(trifluoromethyl)benzene,
SCHEMBL9693627,
CTK8E9210,
DTXSID00600600,
8668AC,
BBL100710,
STL554504,
ZINC66329431,
AKOS005255780,
TR-055234,
X-3968,
C7H2ClF5,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.535g/mol |
| Monoisotopic Mass | 215.977g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number