| CAS Number | 957059-61-9 |
| Catalog Number | AG00IWGD(AGN-PC-0WAYW1) |
| Chemical Name | (4-Fluorobenzo[b]thiophen-2-yl)methanol |
| IUPAC Name | (4-fluoro-1-benzothiophen-2-yl)methanol |
| InChI | InChI=1S/C9H7FOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2 |
| InChI Key | VRHVHHZXYVVURV-UHFFFAOYSA-N |
| MDL Number | MFCD12032275 |
| Molecular Formula | C9H7FOS |
| Molecular Weight | 182.2147 |
| SMILES | C1=CC(=C2C=C(CO)SC2=C1)F |
| Synonyms | (4-fluoro-1-benzothiophen-2-yl)methanol,
957059-61-9,
(4-fluorobenzo[b]thiophen-2-yl)methanol,
SCHEMBL717886,
CTK8A3540,
VRHVHHZXYVVURV-UHFFFAOYSA-N,
KS-000023SD,
4411AF,
MFCD12032275,
ZINC63110881,
AKOS015853459,
CF-0745,
MCULE-4698066997,
RP10948,
Benzo[b]thiophene-2-methanol, 4-fluoro-,
(4-fluoro-benzo[b]thiophen-2-yl)-methanol,
TR-072428,
C9H7FOS,
|
| 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