| CAS Number | 1249000-79-0 |
| Catalog Number | AG01A8FW |
| Chemical Name | ethyl 2-(2-bromo-4-methoxyphenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(2-bromo-4-methoxyphenyl)-2-oxoacetate |
| InChI | InChI=1S/C11H11BrO4/c1-3-16-11(14)10(13)8-5-4-7(15-2)6-9(8)12/h4-6H,3H2,1-2H3 |
| InChI Key | OAMWQQJVCLXRAU-UHFFFAOYSA-N |
| MDL Number | MFCD16061593 |
| Molecular Formula | C11H11BrO4 |
| Molecular Weight | 287.1066 |
| SMILES | CCOC(C(C1=C(Br)C=C(OC)C=C1)=O)=O |
| Synonyms | ethyl 2-(2-bromo-4-methoxyphenyl)-2-oxoacetate,
1249000-79-0,
ZINC42898844,
AKOS010879676,
NE20586,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.109g/mol |
| Monoisotopic Mass | 285.984g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number