| CAS Number | 893735-05-2 |
| Catalog Number | AG019MHD |
| Chemical Name | 1-[5-(2-Chlorophenyl)thien-2-yl]ethanone |
| IUPAC Name | 1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone |
| InChI | InChI=1S/C12H9ClOS/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-7H,1H3 |
| InChI Key | BFYUAUAWCRMZSS-UHFFFAOYSA-N |
| MDL Number | MFCD06802014 |
| Molecular Formula | C12H9ClOS |
| Molecular Weight | 236.7173 |
| SMILES | CC(C1SC(C2=C(Cl)C=CC=C2)=CC=1)=O |
| Synonyms | 893735-05-2,
1-[5-(2-chlorophenyl)thiophen-2-yl]ethan-1-one,
1-[5-(2-Chlorophenyl)-2-thienyl]ethanone,
1-[5-(2-chlorophenyl)thien-2-yl]ethanone,
1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone,
1-(5-(2-Chlorophenyl)thiophen-2-yl)ethanone,
AC1Q1JUU,
AC1N57T3,
CTK6H3192,
ZINC6159120,
AKOS004117563,
MCULE-9650197844,
NE13453,
BB 0223043,
EN300-36183,
Ethanone, 1-[5-(2-chlorophenyl)-2-thienyl]-,
Z398556842,
CID4190811,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.713g/mol |
| Monoisotopic Mass | 236.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number