| CAS Number | 1135283-78-1 |
| Catalog Number | AG00ITMS(AGN-PC-0WB2DO) |
| Chemical Name | (7-Fluorobenzo[b]thiophen-2-yl)methanol |
| IUPAC Name | (7-fluoro-1-benzothiophen-2-yl)methanol |
| InChI | InChI=1S/C9H7FOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,11H,5H2 |
| InChI Key | AAIDUFYGWMUPHQ-UHFFFAOYSA-N |
| MDL Number | MFCD11841047 |
| Molecular Formula | C9H7FOS |
| Molecular Weight | 182.2147 |
| SMILES | S2(C1(=C(F)C=CC=C1C=C2CO)) |
| Synonyms | (7-fluoro-1-benzothiophen-2-yl)methanol,
1135283-78-1,
(7-Fluorobenzo[b]thiophen-2-yl)methanol,
Benzo[b]thiophene-2-methanol, 7-fluoro-,
SCHEMBL15596008,
CTK8A2724,
KS-000029PO,
MFCD11841047,
SBB089912,
ZINC29753841,
AKOS005073655,
MCULE-7857663844,
NC-0722,
RP10949,
AJ-83782,
(7-Fluoro-benzo[b]thiophen-2-yl)-methanol,
TR-065343,
(7-fluorobenzo[b]thiophen-2-yl)methan-1-ol,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.212g/mol |
| Monoisotopic Mass | 182.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number