| CAS Number | 1099598-25-0 |
| Catalog Number | AG01EQQQ(AGN-PC-0WBZLN) |
| Chemical Name | 1,3-Dichloro-2-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 1,3-dichloro-2-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H5Cl2F3/c9-6-2-1-3-7(10)5(6)4-8(11,12)13/h1-3H,4H2 |
| InChI Key | IWVCYQDSZUAMEP-UHFFFAOYSA-N |
| MDL Number | MFCD11226581 |
| Molecular Formula | C8H5Cl2F3 |
| Molecular Weight | 229.0265 |
| SMILES | C1(Cl)C=CC=C(Cl)C=1CC(F)(F)F |
| Synonyms | 1,3-DICHLORO-2-(2,2,2-TRIFLUOROETHYL)BENZENE,
1099598-25-0,
CTK7B7095,
BBL101017,
STL554811,
ZINC66329391,
AKOS005255787,
TR-055205,
Y-9941,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.023g/mol |
| Monoisotopic Mass | 227.972g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number