| CAS Number | 1251582-36-1 |
| Catalog Number | AG019ELJ(AGN-PC-0WG4WB) |
| Chemical Name | Ethyl 5-bromo-3-((ethoxycarbonyl)amino)benzofuran-2-carboxylate |
| IUPAC Name | ethyl 5-bromo-3-(ethoxycarbonylamino)-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C14H14BrNO5/c1-3-19-13(17)12-11(16-14(18)20-4-2)9-7-8(15)5-6-10(9)21-12/h5-7H,3-4H2,1-2H3,(H,16,18) |
| InChI Key | ZGSAFXNAOFAXGD-UHFFFAOYSA-N |
| MDL Number | MFCD30185146 |
| Molecular Formula | C14H14BrNO5 |
| Molecular Weight | 356.1687 |
| SMILES | CCOC(=O)Nc1c(oc2ccc(Br)cc12)C(=O)OCC |
| Synonyms | Ethyl 5-bromo-3-((ethoxycarbonyl)amino)benzofuran-2-carboxylate,
1251582-36-1,
SCHEMBL13102697,
ZINC169378532,
CS-0038423,
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| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.172g/mol |
| Monoisotopic Mass | 355.006g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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