| CAS Number | 1936588-99-6 |
| Catalog Number | AG019ENI |
| Chemical Name | 1-(4-bromo-3-ethoxyphenyl)ethan-1-one |
| IUPAC Name | 1-(4-bromo-3-ethoxyphenyl)ethanone |
| InChI | InChI=1S/C10H11BrO2/c1-3-13-10-6-8(7(2)12)4-5-9(10)11/h4-6H,3H2,1-2H3 |
| InChI Key | FZHGMWSQXIKSIR-UHFFFAOYSA-N |
| MDL Number | MFCD28559110 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | CCOc1cc(ccc1Br)C(C)=O |
| Synonyms | 1-(4-bromo-3-ethoxyphenyl)ethanone,
1936588-99-6,
MFCD28559110,
AKOS030632063,
ZINC200720057,
1-(4-Bromo-3-ethoxyphenyl)ethan-1-one,
CS-0061051,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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