| CAS Number | 115773-19-8 |
| Catalog Number | AG019V5G(AGN-PC-05HAPQ) |
| Chemical Name | 1-(chloromethyl)-4-(2,2,2-trifluoroethoxy)benzene |
| IUPAC Name | 1-(chloromethyl)-4-(2,2,2-trifluoroethoxy)benzene |
| InChI | InChI=1S/C9H8ClF3O/c10-5-7-1-3-8(4-2-7)14-6-9(11,12)13/h1-4H,5-6H2 |
| InChI Key | MQBQVVMPYACAOW-UHFFFAOYSA-N |
| MDL Number | MFCD11120393 |
| Molecular Formula | C9H8ClF3O |
| Molecular Weight | 224.6074 |
| SMILES | FC(F)(F)COC1=CC=C(CCl)C=C1 |
| Synonyms | 1-(chloromethyl)-4-(2,2,2-trifluoroethoxy)benzene,
115773-19-8,
AC1Q4KBZ,
CTK6H6575,
ZINC21019703,
AKOS005363101,
NE14933,
EN300-43806,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.607g/mol |
| Monoisotopic Mass | 224.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number