| CAS Number | 1184126-27-9 |
| Catalog Number | AG01C1J3 |
| Chemical Name | 2-(2-chlorophenyl)-1-(thiophen-3-yl)ethan-1-one |
| IUPAC Name | 2-(2-chlorophenyl)-1-thiophen-3-ylethanone |
| InChI | InChI=1S/C12H9ClOS/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-6,8H,7H2 |
| InChI Key | IPIDOVGDKRPXHG-UHFFFAOYSA-N |
| MDL Number | MFCD12153325 |
| Molecular Formula | C12H9ClOS |
| Molecular Weight | 236.7173 |
| SMILES | ClC1=C(CC(C2=CSC=C2)=O)C=CC=C1 |
| Synonyms | 1184126-27-9,
2-(2-chlorophenyl)-1-(thiophen-3-yl)ethan-1-one,
ZINC37992336,
AKOS010013918,
|
| Complexity | 232 |
| 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 | 3 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number