| CAS Number | 126300-83-2 |
| Catalog Number | AG01AJRV(AGN-PC-0WBK69) |
| Chemical Name | 1-(Bromomethyl)-4-(2,2,2-trifluoroethoxy)benzene |
| IUPAC Name | 1-(bromomethyl)-4-(2,2,2-trifluoroethoxy)benzene |
| InChI | InChI=1S/C9H8BrF3O/c10-5-7-1-3-8(4-2-7)14-6-9(11,12)13/h1-4H,5-6H2 |
| InChI Key | CZDBWHVEQFCRIG-UHFFFAOYSA-N |
| MDL Number | MFCD11180392 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | C1=CC(=CC=C1CBr)OCC(F)(F)F |
| Synonyms | 1-(bromomethyl)-4-(2,2,2-trifluoroethoxy)benzene,
126300-83-2,
SCHEMBL122100,
CZDBWHVEQFCRIG-UHFFFAOYSA-N,
ZINC36894674,
AKOS009309983,
NE54787,
EN300-81808,
4-(2,2,2-Trifluoroethoxy)benzyl 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 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number