| CAS Number | 2044713-56-4 |
| Catalog Number | AG01C4XW |
| Chemical Name | 2-chloro-1-(1,2-thiazol-5-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(1,2-thiazol-5-yl)ethanone |
| InChI | InChI=1S/C5H4ClNOS/c6-3-4(8)5-1-2-7-9-5/h1-2H,3H2 |
| InChI Key | PBCOCFDXZGIIJY-UHFFFAOYSA-N |
| MDL Number | MFCD30476077 |
| Molecular Formula | C5H4ClNOS |
| Molecular Weight | 161.6094 |
| SMILES | ClCC(C1SN=CC=1)=O |
| Synonyms | 2-chloro-1-(1,2-thiazol-5-yl)ethan-1-one,
2044713-56-4,
ZINC521398906,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.603g/mol |
| Monoisotopic Mass | 160.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number