| CAS Number | 29079-93-4 |
| Catalog Number | AG01C2A5 |
| Chemical Name | 7-chloro-4H,5H-thieno[3,2-c]pyridin-4-one |
| IUPAC Name | 7-chloro-5H-thieno[3,2-c]pyridin-4-one |
| InChI | InChI=1S/C7H4ClNOS/c8-5-3-9-7(10)4-1-2-11-6(4)5/h1-3H,(H,9,10) |
| InChI Key | UXAIBZJDLXCTTM-UHFFFAOYSA-N |
| MDL Number | MFCD08437054 |
| Molecular Formula | C7H4ClNOS |
| Molecular Weight | 185.6308 |
| SMILES | ClC1C2=C(C=CS2)C(=O)NC=1 |
| Synonyms | 7-chloro-4H,5H-thieno[3,2-c]pyridin-4-one,
29079-93-4,
Thieno[3,2-c]pyridin-4(5H)-one, 7-chloro-,
AKOS006287901,
7-Chlorothieno[3,2-c]pyridin-4(5H)-one,
CS-0081746,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.625g/mol |
| Monoisotopic Mass | 184.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number