| CAS Number | 150612-67-2 |
| Catalog Number | AG00IRL2(AGN-PC-0WAXSD) |
| Chemical Name | Ethyl 5-bromo-7-methoxy-1-benzofuran-2-carboxylate |
| IUPAC Name | ethyl 5-bromo-7-methoxy-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C12H11BrO4/c1-3-16-12(14)10-5-7-4-8(13)6-9(15-2)11(7)17-10/h4-6H,3H2,1-2H3 |
| InChI Key | GDKMBFBGOSPMPD-UHFFFAOYSA-N |
| MDL Number | MFCD16089983 |
| Molecular Formula | C12H11BrO4 |
| Molecular Weight | 299.1173 |
| SMILES | [Br]C1(=CC(OC)=C2(OC(=CC2(=C1))C(=O)OCC)) |
| Synonyms | 150612-67-2,
ethyl 5-bromo-7-methoxy-1-benzofuran-2-carboxylate,
Ethyl 5-bromo-7-methoxybenzofuran-2-carboxylate,
SCHEMBL7389995,
KS-000021WK,
ZINC52537221,
AKOS015993874,
AA-0852,
MCULE-9974111500,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.12g/mol |
| Monoisotopic Mass | 297.984g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number