| CAS Number | 38056-11-0 |
| Catalog Number | AG01DTEB |
| Chemical Name | 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethan-1-one |
| IUPAC Name | 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone |
| InChI | InChI=1S/C11H9ClOS/c1-6-8-4-3-5-9(12)11(8)14-10(6)7(2)13/h3-5H,1-2H3 |
| InChI Key | JTVIOSNFWXXECZ-UHFFFAOYSA-N |
| MDL Number | MFCD11207762 |
| Molecular Formula | C11H9ClOS |
| Molecular Weight | 224.7066 |
| SMILES | CC(C1=C(C)C2=C(C(=CC=C2)Cl)S1)=O |
| Synonyms | 1-(7-CHLORO-3-METHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE,
38056-11-0,
AKOS009328138,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.702g/mol |
| Monoisotopic Mass | 224.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number