| CAS Number | 62715-35-9 |
| Catalog Number | AG01AH16(AGN-PC-0NISVZ) |
| Chemical Name | 1-(3-bromothiophen-2-yl)-2-chloroethan-1-one |
| IUPAC Name | 1-(3-bromothiophen-2-yl)-2-chloroethanone |
| InChI | InChI=1S/C6H4BrClOS/c7-4-1-2-10-6(4)5(9)3-8/h1-2H,3H2 |
| InChI Key | QYIMZDKCWUCNCB-UHFFFAOYSA-N |
| MDL Number | MFCD01859854 |
| Molecular Formula | C6H4BrClOS |
| Molecular Weight | 239.5174 |
| SMILES | ClCC(C1=C(Br)C=CS1)=O |
| Synonyms | 1-(3-bromothiophen-2-yl)-2-chloroethan-1-one,
62715-35-9,
ZINC62151938,
AKOS017387278,
NE49467,
EN300-73402,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.511g/mol |
| Monoisotopic Mass | 237.885g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number