| CAS Number | 125174-25-6 |
| Catalog Number | AG01AAWN(AGN-PC-0022X4) |
| Chemical Name | 1-(2-Bromoethoxy)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(2-bromoethoxy)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8BrF3O/c10-5-6-14-8-3-1-7(2-4-8)9(11,12)13/h1-4H,5-6H2 |
| InChI Key | YKZQRODDFYIDRM-UHFFFAOYSA-N |
| MDL Number | MFCD10690616 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | BrCCOC1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 1-(2-bromoethoxy)-4-(trifluoromethyl)benzene,
125174-25-6,
1-(2-Bromoethoxy)-4(trifluoromethyl)benzene,
AC1Q4J60,
SCHEMBL4332998,
YKZQRODDFYIDRM-UHFFFAOYSA-N,
ZINC34334368,
NE14807,
1-(2-bromoethoxy)-4-trifluoromethylbenzene,
EN300-69793,
|
| 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 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number