| CAS Number | 916420-55-8 |
| Catalog Number | AG00VROY(AGN-PC-0WAOJ0) |
| Chemical Name | 3-Methyl-5-(trifluoromethoxy)benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3-methyl-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C9H8BrF3O/c1-6-2-7(5-10)4-8(3-6)14-9(11,12)13/h2-4H,5H2,1H3 |
| InChI Key | WRJCQRHFOGJLLM-UHFFFAOYSA-N |
| MDL Number | MFCD08741403 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | BrCC1=CC(C)=CC(=C1)OC(F)(F)F |
| Synonyms | 3-Methyl-5-(trifluoromethoxy)benzyl bromide,
916420-55-8,
1-(bromomethyl)-3-methyl-5-(trifluoromethoxy)benzene,
MFCD08741403,
3-(Bromomethyl)-5-(trifluoromethoxy)toluene,
SCHEMBL18549862,
CTK5I9744,
ZX-AP002922,
PC3604,
ZINC16158955,
AKOS015956822,
FCH1325819,
PS-9912,
|
| 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 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number