| CAS Number | 1001671-82-4 |
| Catalog Number | AG019RQA(AGN-PC-0WOAJO) |
| Chemical Name | 1-(5-bromo-2-methylthiophen-3-yl)ethan-1-one |
| IUPAC Name | 1-(5-bromo-2-methylthiophen-3-yl)ethanone |
| InChI | InChI=1S/C7H7BrOS/c1-4(9)6-3-7(8)10-5(6)2/h3H,1-2H3 |
| InChI Key | NLXVUPFYNZJDSJ-UHFFFAOYSA-N |
| MDL Number | MFCD20501932 |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.0989 |
| SMILES | CC(C1=C(C)SC(Br)=C1)=O |
| Synonyms | 1-(5-bromo-2-methylthiophen-3-yl)ethan-1-one,
1001671-82-4,
ZINC71790278,
AKOS014701232,
NE60544,
EN300-90164,
1-(5-bromo-2-methyl-3-thienyl)Ethanone,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.096g/mol |
| Monoisotopic Mass | 217.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number