| CAS Number | 19945-43-8 |
| Catalog Number | AG019YGV(AGN-PC-0WODSE) |
| Chemical Name | 4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid |
| IUPAC Name | 4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid |
| InChI | InChI=1S/C8H6Cl2O3S/c9-6-3-4(8(10)14-6)5(11)1-2-7(12)13/h3H,1-2H2,(H,12,13) |
| InChI Key | LAGSROSYUIBCDA-UHFFFAOYSA-N |
| MDL Number | MFCD15529781 |
| Molecular Formula | C8H6Cl2O3S |
| Molecular Weight | 253.1024 |
| SMILES | OC(CCC(C1=C(Cl)SC(Cl)=C1)=O)=O |
| Synonyms | 4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid,
19945-43-8,
SCHEMBL6802262,
ZINC37379084,
AKOS009376435,
MCULE-1393611477,
NE43152,
RP29019,
Z1407007341,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.093g/mol |
| Monoisotopic Mass | 251.941g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number