| CAS Number | 10216-12-3 |
| Catalog Number | AG0006S6(AGN-PC-0NJYQ3) |
| Chemical Name | 5-(Chlorosulfonyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-chlorosulfonylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C5H3ClO4S2/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2H,(H,7,8) |
| InChI Key | FWVXNSQOBHTXGV-UHFFFAOYSA-N |
| MDL Number | MFCD10485859 |
| Molecular Formula | C5H3ClO4S2 |
| Molecular Weight | 226.6579 |
| SMILES | OC(C1SC(S(Cl)(=O)=O)=CC=1)=O |
| Synonyms | 10216-12-3,
5-(chlorosulfonyl)thiophene-2-carboxylic acid,
5-chlorosulfonyl-thiophene-2-carboxylic acid,
2-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-,
SCHEMBL16237287,
CTK0G7764,
DTXSID20507445,
AKOS006336257,
ZINC100652140,
NE57398,
5-(Chlorosulfonyl)-2-thiophenecarboxylic acid,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.645g/mol |
| Monoisotopic Mass | 225.916g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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