| CAS Number | 2138550-12-4 |
| Catalog Number | AG01ELQK |
| Chemical Name | methyl 4-bromo-5-acetamidofuran-2-carboxylate |
| IUPAC Name | methyl 5-acetamido-4-bromofuran-2-carboxylate |
| InChI | InChI=1S/C8H8BrNO4/c1-4(11)10-7-5(9)3-6(14-7)8(12)13-2/h3H,1-2H3,(H,10,11) |
| InChI Key | VOLINUWWKOMICG-UHFFFAOYSA-N |
| MDL Number | MFCD31559241 |
| Molecular Formula | C8H8BrNO4 |
| Molecular Weight | 262.0574 |
| SMILES | COC(C1OC(NC(C)=O)=C(Br)C=1)=O |
| Synonyms | AKOS034121846,
methyl 4-bromo-5-acetamidofuran-2-carboxylate,
2138550-12-4,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.059g/mol |
| Monoisotopic Mass | 260.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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