| CAS Number | 89166-94-9 |
| Catalog Number | AG00OF6U(AGN-PC-3H458A) |
| Chemical Name | 3,5-dichlorothiophene-2-carboxylic acid |
| IUPAC Name | 3,5-dichlorothiophene-2-carboxylic acid |
| InChI | InChI=1S/C5H2Cl2O2S/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H,8,9) |
| InChI Key | DRFBPFKEXPWKSY-UHFFFAOYSA-N |
| MDL Number | MFCD20638788 |
| Molecular Formula | C5H2Cl2O2S |
| Molecular Weight | 197.0392 |
| SMILES | ClC1=C(SC(=C1)Cl)C(=O)O |
| Synonyms | 3,5-dichlorothiophene-2-carboxylic acid,
89166-94-9,
3,5-dichloro-thiophene-2-carboxylic acid,
SCHEMBL788357,
MFCD20638788,
AKOS023411621,
DS-11729,
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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 | 3.1 |
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Certificate of Analysis
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