| CAS Number | 893741-43-0 |
| Catalog Number | AG00GTFG |
| Chemical Name | 1-[5-(2-Fluorophenyl)thien-2-yl]ethanone |
| IUPAC Name | 1-[5-(2-fluorophenyl)thiophen-2-yl]ethanone |
| InChI | InChI=1S/C12H9FOS/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-7H,1H3 |
| InChI Key | STZVVNHTNILYSJ-UHFFFAOYSA-N |
| MDL Number | MFCD06802793 |
| Molecular Formula | C12H9FOS |
| Molecular Weight | 220.2627 |
| SMILES | CC(C1SC(C2=C(F)C=CC=C2)=CC=1)=O |
| Synonyms | 893741-43-0,
1-[5-(2-Fluorophenyl)-2-thienyl]ethanone,
1-[5-(2-fluorophenyl)thien-2-yl]ethanone,
1-(5-(2-Fluorophenyl)thiophen-2-yl)ethanone,
1-[5-(2-fluorophenyl)thiophen-2-yl]ethan-1-one,
AC1Q1JUV,
CTK7C2356,
ZINC16948155,
AKOS004117197,
MCULE-1321174321,
NE13455,
EN300-35562,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.261g/mol |
| Monoisotopic Mass | 220.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number