| CAS Number | 1261973-39-0 |
| Catalog Number | AG000SA0(AGN-PC-09Q03U) |
| Chemical Name | 2-[Benzo(b)thiophen-2-yl]-3-hydroxypyridine |
| IUPAC Name | 2-(1-benzothiophen-2-yl)pyridin-3-ol |
| InChI | InChI=1S/C13H9NOS/c15-10-5-3-7-14-13(10)12-8-9-4-1-2-6-11(9)16-12/h1-8,15H |
| InChI Key | VNDYHYKUILJHAZ-UHFFFAOYSA-N |
| MDL Number | MFCD18312242 |
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.2817 |
| SMILES | Oc1cccnc1c1cc2c(s1)cccc2 |
| Synonyms | 1261973-39-0,
2-(Benzo[b]thiophen-2-yl)pyridin-3-ol,
2-[Benzo(b)thiophen-2-yl]-3-hydroxypyridine,
2-(1-benzothiophen-2-yl)pyridin-3-ol,
ACMC-209b8v,
CTK8A9855,
DTXSID00682901,
ANW-18845,
MFCD18312242,
ZINC65339297,
AKOS015999432,
3-Pyridinol, 2-benzo[b]thien-2-yl-,
2-(Benzo[b]thiophen-2-yl);pyridin-3-ol,
AX8230630,
TC-107590,
ST24021825,
Z9249,
B-6992,
C13H9NOS,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.281g/mol |
| Monoisotopic Mass | 227.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number