| CAS Number | 1111105-57-7 |
| Catalog Number | AG00941S(AGN-PC-0WABQJ) |
| Chemical Name | 6-[Benzo(B)Thiophen-2-Yl]-2-Hydroxypyridine |
| IUPAC Name | 6-(1-benzothiophen-2-yl)-1H-pyridin-2-one |
| InChI | InChI=1S/C13H9NOS/c15-13-7-3-5-10(14-13)12-8-9-4-1-2-6-11(9)16-12/h1-8H,(H,14,15) |
| InChI Key | FGLOSMCLGCAROT-UHFFFAOYSA-N |
| MDL Number | MFCD11876406 |
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.2817 |
| SMILES | Oc1cccc(n1)c1cc2c(s1)cccc2 |
| Synonyms | 1111105-57-7,
6-(Benzo[b]thiophen-2-yl)pyridin-2-ol,
6-[Benzo(b)thiophen-2-yl]-2-hydroxypyridine,
CTK8A9238,
DTXSID60682902,
ACMC-209987,
ANW-16229,
MFCD11876406,
ZINC65339301,
AKOS015892186,
AJ-115266,
AX8230633,
TC-104974,
ST24024218,
Z7334,
6-(1-Benzothiophen-2-yl)pyridin-2(1H)-one,
B-6445,
I02-3557,
C13H9NOS,
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| Complexity | 361 |
| 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 | 2 |
| 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 | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number