| CAS Number | 1221658-68-9 |
| Catalog Number | AG0016VE(AGN-PC-0WD3TD) |
| Chemical Name | 1-(Benzyloxy)-3-bromo-5-(trifluoromethoxy)benzene |
| IUPAC Name | 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C14H10BrF3O2/c15-11-6-12(8-13(7-11)20-14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | ZVKREHXYXUPPEJ-UHFFFAOYSA-N |
| MDL Number | MFCD16036126 |
| Molecular Formula | C14H10BrF3O2 |
| Molecular Weight | 347.1272 |
| SMILES | c1(cc(cc(c1)Br)OC(F)(F)F)OCc1ccccc1 |
| Synonyms | 1-(Benzyloxy)-3-bromo-5-(trifluoromethoxy)benzene,
1221658-68-9,
CTK8A9495,
DTXSID20682084,
ANW-17942,
MFCD16036126,
ZINC65337253,
AJ-115057,
AX8281780,
K-1661,
Benzene, 1-bromo-3-(phenylmethoxy)-5-(trifluoromethoxy)-,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.131g/mol |
| Monoisotopic Mass | 345.982g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number