| CAS Number | 81344-85-6 |
| Catalog Number | AG00ID6K(AGN-PC-0WRA1X) |
| Chemical Name | 2-[Benzo(b)thiophen-2-yl]phenol |
| IUPAC Name | 2-(1-benzothiophen-2-yl)phenol |
| InChI | InChI=1S/C14H10OS/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,15H |
| InChI Key | HOUFEXIRIOTXIY-UHFFFAOYSA-N |
| MDL Number | MFCD18312901 |
| Molecular Formula | C14H10OS |
| Molecular Weight | 226.2936 |
| SMILES | Oc1ccccc1c1cc2c(s1)cccc2 |
| Synonyms | 2-[Benzo(b)thiophen-2-yl]phenol,
81344-85-6,
SCHEMBL7503046,
2-(Benzo[b]thiophene-2-yl)phenol,
MFCD18312901,
ZINC65340041,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.293g/mol |
| Monoisotopic Mass | 226.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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