| CAS Number | 61209-02-7 |
| Catalog Number | AG01DWJ6(AGN-PC-00229C) |
| Chemical Name | 3,4-Dichlorothiophene-2-carboxylic acid |
| IUPAC Name | 3,4-dichlorothiophene-2-carboxylic acid |
| InChI | InChI=1S/C5H2Cl2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9) |
| InChI Key | SHYXCAMRUUVZKJ-UHFFFAOYSA-N |
| MDL Number | MFCD00159568 |
| Molecular Formula | C5H2Cl2O2S |
| Molecular Weight | 197.0392 |
| SMILES | O=C(C1=C(Cl)C(Cl)=CS1)O |
| Synonyms | 3,4-Dichlorothiophene-2-carboxylic acid,
61209-02-7,
SCHEMBL787848,
dichloro-2-thiophene carboxylic,
CTK2E4833,
DTXSID10562467,
ZINC34333372,
AKOS000282047,
SC-66105,
2-Thiophenecarboxylic acid, 3,4-dichloro-,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.029g/mol |
| Monoisotopic Mass | 195.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number