| CAS Number | 1360967-00-5 |
| Catalog Number | AG01BXEE |
| Chemical Name | 3-bromo-6H,7H-thieno[2,3-c]pyridin-7-one |
| IUPAC Name | 3-bromo-6H-thieno[2,3-c]pyridin-7-one |
| InChI | InChI=1S/C7H4BrNOS/c8-5-3-11-6-4(5)1-2-9-7(6)10/h1-3H,(H,9,10) |
| InChI Key | XRZOFZIENHDDDH-UHFFFAOYSA-N |
| MDL Number | MFCD22557147 |
| Molecular Formula | C7H4BrNOS |
| Molecular Weight | 230.0818 |
| SMILES | BrC1C2=C(C(NC=C2)=O)SC=1 |
| Synonyms | 3-bromo-6H,7H-thieno[2,3-c]pyridin-7-one,
1360967-00-5,
3-bromothieno[2,3-c]pyridin-7-ol,
AKOS033995531,
ZINC237973946,
Z2719319246,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.079g/mol |
| Monoisotopic Mass | 228.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number