| CAS Number | 1221793-64-1 |
| Catalog Number | AG0016VZ(AGN-PC-0WRA3S) |
| Chemical Name | 1-Bromo-3-isobutoxy-5-(trifluoromethoxy)benzene |
| IUPAC Name | 1-bromo-3-(2-methylpropoxy)-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C11H12BrF3O2/c1-7(2)6-16-9-3-8(12)4-10(5-9)17-11(13,14)15/h3-5,7H,6H2,1-2H3 |
| InChI Key | DEFGZGJRSGFCEH-UHFFFAOYSA-N |
| MDL Number | MFCD16036131 |
| Molecular Formula | C11H12BrF3O2 |
| Molecular Weight | 313.1110 |
| SMILES | CC(COc1cc(cc(c1)Br)OC(F)(F)F)C |
| Synonyms | 1221793-64-1,
1-Bromo-3-isobutoxy-5-(trifluoromethoxy)benzene,
1-Bromo-3-isobutoxy-5-trifluoromethoxybenzene,
CTK8A9499,
DTXSID50682113,
ANW-17951,
MFCD16036131,
ZINC65337289,
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethoxy)benzene,
Benzene, 1-bromo-3-(2-methylpropoxy)-5-(trifluoromethoxy)-,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.114g/mol |
| Monoisotopic Mass | 311.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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