| CAS Number | 1823241-41-3 |
| Catalog Number | AG019EL2(AGN-PC-0WG4W2) |
| Chemical Name | 2-Benzofurancarboxylic acid, 3-amino-7-bromo-, ethyl ester |
| IUPAC Name | ethyl 3-amino-7-bromo-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C11H10BrNO3/c1-2-15-11(14)10-8(13)6-4-3-5-7(12)9(6)16-10/h3-5H,2,13H2,1H3 |
| InChI Key | GCAPXACGZIBUJP-UHFFFAOYSA-N |
| MDL Number | MFCD21609332 |
| Molecular Formula | C11H10BrNO3 |
| Molecular Weight | 284.1060 |
| SMILES | Brc1c2c(c(c(o2)C(=O)OCC)N)ccc1 |
| Synonyms | Ethyl 3-amino-7-bromobenzofuran-2-carboxylate,
1823241-41-3,
ethyl 3-amino-7-bromo-1-benzo[b]furan-2-carboxylate,
MFCD21609332,
ZINC95929664,
AKOS022176516,
AJ-135649,
CS-0038123,
ethyl 3-amino-7-bromo-1-benzofuran-2-carboxylate,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.109g/mol |
| Monoisotopic Mass | 282.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number