| CAS Number | 1275526-40-3 |
| Catalog Number | AG01A6Z5 |
| Chemical Name | ethyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-oxoacetate |
| InChI | InChI=1S/C12H13BrO5/c1-4-18-12(15)11(14)7-5-9(16-2)10(17-3)6-8(7)13/h5-6H,4H2,1-3H3 |
| InChI Key | RECNUNFMNZPTCB-UHFFFAOYSA-N |
| MDL Number | MFCD16284947 |
| Molecular Formula | C12H13BrO5 |
| Molecular Weight | 317.1326 |
| SMILES | CCOC(C(C1=C(Br)C=C(OC)C(OC)=C1)=O)=O |
| Synonyms | ethyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-oxoacetate,
1275526-40-3,
ZINC42898735,
AKOS006022217,
NE31988,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.135g/mol |
| Monoisotopic Mass | 315.995g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number