| CAS Number | 1310416-62-6 |
| Catalog Number | AG009YH7(AGN-PC-0WCSIE) |
| Chemical Name | 1-Bromo-3-(trifluoromethyl)-5-ethoxybenzene |
| IUPAC Name | 1-bromo-3-ethoxy-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8BrF3O/c1-2-14-8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,2H2,1H3 |
| InChI Key | BAINXAOCTMGPBZ-UHFFFAOYSA-N |
| MDL Number | MFCD19105348 |
| Molecular Formula | C9H8BrF3O |
| Molecular Weight | 269.0584 |
| SMILES | c1(cc(cc(c1)Br)OCC)C(F)(F)F |
| Synonyms | 1310416-62-6,
1-bromo-3-ethoxy-5-(trifluoromethyl)benzene,
1-Bromo-3-(trifluoromethyl)-5-ethoxybenzene,
MFCD19105348,
ZINC72204548,
AKOS025286634,
AM86495,
Z0078,
Q-7771,
C9H8BrF3O,
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| 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 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number