| CAS Number | 58414-55-4 |
| Catalog Number | AG01AD8T(AGN-PC-0SPT97) |
| Chemical Name | 2-(2,5-Dichlorothiophen-3-yl)-2-oxoacetic acid |
| IUPAC Name | 2-(2,5-dichlorothiophen-3-yl)-2-oxoacetic acid |
| InChI | InChI=1S/C6H2Cl2O3S/c7-3-1-2(5(8)12-3)4(9)6(10)11/h1H,(H,10,11) |
| InChI Key | NYEQOASPWDUDFX-UHFFFAOYSA-N |
| MDL Number | MFCD11642207 |
| Molecular Formula | C6H2Cl2O3S |
| Molecular Weight | 225.0493 |
| SMILES | OC(C(C1=C(Cl)SC(Cl)=C1)=O)=O |
| Synonyms | 2-(2,5-dichlorothiophen-3-yl)-2-oxoacetic acid,
58414-55-4,
SCHEMBL7045285,
NYEQOASPWDUDFX-UHFFFAOYSA-N,
ZINC37379701,
AKOS009377721,
MCULE-7628465751,
NE59699,
(2,5-dichlorothiophen-3-yl)-oxo-acetic acid,
Z1862698220,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.039g/mol |
| Monoisotopic Mass | 223.91g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number