| CAS Number | 941167-85-7 |
| Catalog Number | AG01A0ZT |
| Chemical Name | 5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine |
| IUPAC Name | 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-fluorophenyl)methanone |
| InChI | InChI=1S/C14H12FNOS/c15-12-3-1-10(2-4-12)14(17)16-7-5-13-11(9-16)6-8-18-13/h1-4,6,8H,5,7,9H2 |
| InChI Key | KVEXSAMNLYFZSY-UHFFFAOYSA-N |
| MDL Number | MFCD09400429 |
| Molecular Formula | C14H12FNOS |
| Molecular Weight | 261.3146 |
| SMILES | FC1=CC=C(C(N2CC3=C(SC=C3)CC2)=O)C=C1 |
| Synonyms | 5-(4-fluorobenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine,
941167-85-7,
ZINC10885059,
AKOS009109460,
MCULE-4054896936,
NE58563,
Z227059008,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.314g/mol |
| Monoisotopic Mass | 261.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number