| CAS Number | 1098356-12-7 |
| Catalog Number | AG0090Z3(AGN-PC-0WB0ME) |
| Chemical Name | 5-Fluorobenzo[b]thiophene-2-carboxamide |
| IUPAC Name | 5-fluoro-1-benzothiophene-2-carboxamide |
| InChI | InChI=1S/C9H6FNOS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H2,11,12) |
| InChI Key | HWVWDSSQJQIIPE-UHFFFAOYSA-N |
| MDL Number | MFCD11643470 |
| Molecular Formula | C9H6FNOS |
| Molecular Weight | 195.2134 |
| SMILES | NC(C1SC2=C(C=C(C=C2)F)C=1)=O |
| Synonyms | 5-fluoro-1-benzothiophene-2-carboxamide,
1098356-12-7,
5-fluorobenzo[b]thiophene-2-carboxamide,
fluorobenzothiophenecarboxamide,
CTK7C1451,
DTXSID40655755,
KS-00001Q7V,
8652AC,
MFCD11643470,
SBB091855,
ZINC37388222,
AKOS005073152,
KD-0705,
MCULE-2860570054,
RP11511,
RTR-065619,
AJ-93872,
5-fluoro-1-benzo[b]thiophene-2-carboxamide,
TR-065619,
J-517546,
C9H6FNOS,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.211g/mol |
| Monoisotopic Mass | 195.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number