| CAS Number | 175588-83-7 |
| Catalog Number | AG00ARJG(AGN-PC-0WCSGA) |
| Chemical Name | 1-Bromo-4-((2,2,2-trifluoroethoxy)methyl)benzene |
| IUPAC Name | 1-bromo-4-(2,2,2-trifluoroethoxymethyl)benzene |
| InChI | InChI=1S/C9H8BrF3O/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4H,5-6H2 |
| InChI Key | GYXXWHRUHJZKDE-UHFFFAOYSA-N |
| MDL Number | MFCD14686959 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | FC(COCC1=CC=C(Br)C=C1)(F)F |
| Synonyms | 1-bromo-4-((2,2,2-trifluoroethoxy)methyl)benzene,
175588-83-7,
MFCD14686959,
ZINC49600884,
AKOS010793964,
AM86698,
BBV-32942044,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.061g/mol |
| Monoisotopic Mass | 267.971g/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