| CAS Number | 115519-20-5 |
| Catalog Number | AG01A4DI(AGN-PC-00P3F9) |
| Chemical Name | 1-(2-Bromoethyl)-4-(trifluoromethoxy)benzene |
| IUPAC Name | 1-(2-bromoethyl)-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C9H8BrF3O/c10-6-5-7-1-3-8(4-2-7)14-9(11,12)13/h1-4H,5-6H2 |
| InChI Key | MSWCBPBZUARGEU-UHFFFAOYSA-N |
| MDL Number | MFCD20432705 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | FC(OC1=CC=C(CCBr)C=C1)(F)F |
| Synonyms | 1-(2-bromoethyl)-4-(trifluoromethoxy)benzene,
115519-20-5,
SCHEMBL3051500,
MSWCBPBZUARGEU-UHFFFAOYSA-N,
ZINC34549359,
AKOS014197114,
NE50086,
2-(4-trifluoromethoxyphenyl)bromoethane,
2-(4-trifluoromethyloxyphenyl)ethyl bromide,
|
| 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 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number