| CAS Number | 29512-83-2 |
| Catalog Number | AG01BB42 |
| Chemical Name | 4-BROMO-6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE |
| IUPAC Name | 4-bromo-6H-thieno[2,3-c]pyridin-7-one |
| InChI | InChI=1S/C7H4BrNOS/c8-5-3-9-7(10)6-4(5)1-2-11-6/h1-3H,(H,9,10) |
| InChI Key | GGXJDYICDSPHOC-UHFFFAOYSA-N |
| MDL Number | MFCD25961999 |
| Molecular Formula | C7H4BrNOS |
| Molecular Weight | 230.0818 |
| SMILES | C1=CSC2=C1C(=CNC2=O)Br |
| Synonyms | 29512-83-2,
4-bromothieno[2,3-c]pyridin-7-ol,
4-bromo-6H-thieno[2,3-c]pyridin-7-one,
4-bromo-6H,7H-thieno[2,3-c]pyridin-7-one,
SCHEMBL5241735,
AKOS033760506,
ZINC165887999,
Z2096087663,
|
| Complexity | 229 |
| 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 | 1.8 |
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Certificate of Analysis
Lot Number