| CAS Number | 1026796-37-1 |
| Catalog Number | AG01A5XB |
| Chemical Name | 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene |
| IUPAC Name | 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8BrF3O/c1-2-14-8-5-6(10)3-4-7(8)9(11,12)13/h3-5H,2H2,1H3 |
| InChI Key | AFZSOGLGDIPPHP-UHFFFAOYSA-N |
| MDL Number | MFCD25371631 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | BrC1=CC(=C(C=C1)C(F)(F)F)OCC |
| Synonyms | 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene,
4-Bromo-2-ethoxybenzotrifluoride,
1026796-37-1,
ZINC95347994,
AKOS027301967,
NE58332,
|
| Complexity | 183 |
| 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 | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number