| CAS Number | 1191261-77-4 |
| Catalog Number | AG01AB8Y |
| Chemical Name | Ethyl 2-(5-bromo-2-methoxyphenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(5-bromo-2-methoxyphenyl)-2-oxoacetate |
| InChI | InChI=1S/C11H11BrO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3 |
| InChI Key | YJDSUIYWZQWSST-UHFFFAOYSA-N |
| MDL Number | MFCD16061579 |
| Molecular Formula | C11H11BrO4 |
| Molecular Weight | 287.1066 |
| SMILES | CCOC(C(C1=C(OC)C=CC(Br)=C1)=O)=O |
| Synonyms | ethyl 2-(5-bromo-2-methoxyphenyl)-2-oxoacetate,
1191261-77-4,
SCHEMBL20855885,
ZINC41463391,
AKOS010879384,
MCULE-9144503459,
NE49374,
EN300-70812,
Z1250100647,
AC1Q31WR,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.98407g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.11g/mol |
| Monoisotopic Mass | 285.98407g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number