| CAS Number | 65540-08-1 |
| Catalog Number | AG00EKLR(AGN-PC-0N0TDW) |
| Chemical Name | 4-[Benzo(b)thiophen-2-yl]phenol |
| IUPAC Name | 4-(1-benzothiophen-2-yl)phenol |
| InChI | InChI=1S/C14H10OS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,15H |
| InChI Key | BTHAMNJTBJFIQX-UHFFFAOYSA-N |
| MDL Number | MFCD18312903 |
| Molecular Formula | C14H10OS |
| Molecular Weight | 226.2936 |
| SMILES | Oc1ccc(cc1)c1cc2c(s1)cccc2 |
| Synonyms | 4-[Benzo(b)thiophen-2-yl]phenol,
65540-08-1,
ACMC-209nra,
SCHEMBL6172601,
CTK8B2112,
DTXSID30436914,
2-(4-hydroxyphenyl)benzothiophene,
BTHAMNJTBJFIQX-UHFFFAOYSA-N,
ANW-35060,
KM0934,
MFCD18312903,
ZINC38392525,
AKOS015898814,
TC-123805,
V7143,
I09-2165,
4-benzothiophen-2-ylphenol,
C14H10OS,
CID10220170,
|
| Complexity | 235 |
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number