| CAS Number | 1951440-12-2 |
| Catalog Number | AG00I37L(AGN-PC-0WQZT7) |
| Chemical Name | Ethyl 4-bromo-2-acetamidothiophene-3-carboxylate |
| IUPAC Name | ethyl 2-acetamido-4-bromothiophene-3-carboxylate |
| InChI | InChI=1S/C9H10BrNO3S/c1-3-14-9(13)7-6(10)4-15-8(7)11-5(2)12/h4H,3H2,1-2H3,(H,11,12) |
| InChI Key | PCUPFMDFYZNRTJ-UHFFFAOYSA-N |
| MDL Number | MFCD30182392 |
| Molecular Formula | C9H10BrNO3S |
| Molecular Weight | 292.1496 |
| SMILES | CCOC(=O)c1c(Br)csc1NC(=O)C |
| Synonyms | Ethyl 4-bromo-2-acetamidothiophene-3-carboxylate,
1951440-12-2,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.147g/mol |
| Monoisotopic Mass | 290.956g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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