| CAS Number | 1393442-62-0 |
| Catalog Number | AG009WY5(AGN-PC-0WNWPX) |
| Chemical Name | 2-Bromo-6-(trifluoromethoxy)benzyl chloride |
| IUPAC Name | 1-bromo-2-(chloromethyl)-3-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H5BrClF3O/c9-6-2-1-3-7(5(6)4-10)14-8(11,12)13/h1-3H,4H2 |
| InChI Key | XKDXZKYLWFHYFX-UHFFFAOYSA-N |
| MDL Number | MFCD22383781 |
| Molecular Formula | C8H5BrClF3O |
| Molecular Weight | 289.4769 |
| SMILES | ClCc1c(cccc1Br)OC(F)(F)F |
| Synonyms | 2-Bromo-6-(trifluoromethoxy)benzyl chloride,
1393442-62-0,
ZINC95496016,
V2967,
C8H5BrClF3O,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.476g/mol |
| Monoisotopic Mass | 287.916g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number