| CAS Number | 1803604-59-2 |
| Catalog Number | AG01BA7X |
| Chemical Name | Methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate |
| IUPAC Name | methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate |
| InChI | InChI=1S/C8H6BrNO2S/c1-12-8(11)5-2-4-3-6(9)13-7(4)10-5/h2-3,10H,1H3 |
| InChI Key | SORDGAKAVQODMJ-UHFFFAOYSA-N |
| MDL Number | MFCD28397551 |
| Molecular Formula | C8H6BrNO2S |
| Molecular Weight | 260.1077 |
| SMILES | O=C(C1=CC(C=C(Br)S2)=C2N1)OC |
| Synonyms | methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate,
1803604-59-2,
ZINC238855680,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.105g/mol |
| Monoisotopic Mass | 258.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number