| CAS Number | 56479-07-3 |
| Catalog Number | AG01BD84(AGN-PC-0SLRBT) |
| Chemical Name | 2-(5-Chlorothiophen-2-yl)-2-oxoacetic acid |
| IUPAC Name | 2-(5-chlorothiophen-2-yl)-2-oxoacetic acid |
| InChI | InChI=1S/C6H3ClO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2H,(H,9,10) |
| InChI Key | SKPUCNJHUNBQDT-UHFFFAOYSA-N |
| MDL Number | MFCD11179657 |
| Molecular Formula | C6H3ClO3S |
| Molecular Weight | 190.6042 |
| SMILES | OC(C(C1SC(Cl)=CC=1)=O)=O |
| Synonyms | 2-(5-chlorothiophen-2-yl)-2-oxoacetic acid,
56479-07-3,
5-Chloro-2-thienylglyoxylic acid,
SCHEMBL7041130,
CTK8D4099,
DTXSID30550124,
SKPUCNJHUNBQDT-UHFFFAOYSA-N,
ZINC34160154,
AKOS009313927,
MCULE-9143047721,
NE42600,
(5-Chlorothiophen-2-yl)(oxo)acetic acid,
(5-Chlorothiophen-2-yl)-oxo-acetic acid,
TC-071545,
Z1853546532,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.597g/mol |
| Monoisotopic Mass | 189.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number