| CAS Number | 1261947-30-1 |
| Catalog Number | AG00HNDV(AGN-PC-0WQYOX) |
| Chemical Name | 5-[Benzo(b)thiophen-2-yl]-2-methylphenol |
| IUPAC Name | 5-(1-benzothiophen-2-yl)-2-methylphenol |
| InChI | InChI=1S/C15H12OS/c1-10-6-7-12(8-13(10)16)15-9-11-4-2-3-5-14(11)17-15/h2-9,16H,1H3 |
| InChI Key | ALUYVYWFXSXLJJ-UHFFFAOYSA-N |
| MDL Number | MFCD18313308 |
| Molecular Formula | C15H12OS |
| Molecular Weight | 240.3202 |
| SMILES | Cc1ccc(cc1O)c1cc2c(s1)cccc2 |
| Synonyms | 5-[Benzo(b)thiophen-2-yl]-2-methylphenol,
1261947-30-1,
5-(Benzo[b]thiophen-2-yl)-2-methylphenol,
MFCD18313308,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.32g/mol |
| Monoisotopic Mass | 240.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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