| CAS Number | 1247079-65-7 |
| Catalog Number | AG01A6AW |
| Chemical Name | ethyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate |
| IUPAC Name | ethyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C11H13BrO4/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10,13H,3H2,1-2H3 |
| InChI Key | ZUSFPYSSNMCSOL-UHFFFAOYSA-N |
| MDL Number | MFCD16723848 |
| Molecular Formula | C11H13BrO4 |
| Molecular Weight | 289.1225 |
| SMILES | CCOC(C(C1=CC(Br)=C(OC)C=C1)O)=O |
| Synonyms | ethyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate,
1247079-65-7,
AKOS011495350,
NE28594,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.125g/mol |
| Monoisotopic Mass | 288g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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