| CAS Number | 117390-36-0 |
| Catalog Number | AG0091TD(AGN-PC-00061Y) |
| Chemical Name | 5-Chlorothieno[3,2-b]pyridine-6-carboxylic acid |
| IUPAC Name | 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C8H4ClNO2S/c9-7-4(8(11)12)3-6-5(10-7)1-2-13-6/h1-3H,(H,11,12) |
| InChI Key | JTQYISCVZJCQCW-UHFFFAOYSA-N |
| MDL Number | MFCD20527833 |
| Molecular Formula | C8H4ClNO2S |
| Molecular Weight | 213.6409 |
| SMILES | ClC1=C(C=C2C(=N1)C=CS2)C(=O)O |
| Synonyms | 5-chlorothieno[3,2-b]pyridine-6-carboxylic acid,
117390-36-0,
SCHEMBL13755932,
ZINC75623143,
Thieno[3,2-b]pyridine-6-carboxylic acid, 5-chloro-,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.635g/mol |
| Monoisotopic Mass | 212.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number