| CAS Number | 59337-81-4 |
| Catalog Number | AG019TJ7(AGN-PC-00MRMM) |
| Chemical Name | 4-Chlorothiophene-3-carboxylic acid |
| IUPAC Name | 4-chlorothiophene-3-carboxylic acid |
| InChI | InChI=1S/C5H3ClO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8) |
| InChI Key | QPYFNTQGFUWDDP-UHFFFAOYSA-N |
| MDL Number | MFCD08695552 |
| Molecular Formula | C5H3ClO2S |
| Molecular Weight | 162.5941 |
| SMILES | ClC=1C(=CSC1)C(=O)O |
| Synonyms | 4-Chlorothiophene-3-carboxylic acid,
59337-81-4,
3-Thiophenecarboxylic acid, 4-chloro-,
SCHEMBL8307343,
CTK1E7582,
DTXSID70542003,
QPYFNTQGFUWDDP-UHFFFAOYSA-N,
4-Chloro-3-thiophenecarboxylic acid,
ZINC34069391,
AKOS000282017,
Z2738358245,
59537-81-4,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.587g/mol |
| Monoisotopic Mass | 161.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number