| CAS Number | 290326-23-7 |
| Catalog Number | AG002V9X(AGN-PC-08YRZO) |
| Chemical Name | Benzoic acid, 4-(5-chloro-2-thienyl)-, sodium salt (1:1) |
| IUPAC Name | 4-(5-chlorothiophen-2-yl)benzoic acid |
| InChI | InChI=1S/C11H7ClO2S/c12-10-6-5-9(15-10)7-1-3-8(4-2-7)11(13)14/h1-6H,(H,13,14) |
| InChI Key | HHYWNBOMTAPIOO-UHFFFAOYSA-N |
| MDL Number | MFCD11977459 |
| Molecular Formula | C11H6ClNaO2S |
| Molecular Weight | 260.6719 |
| SMILES | O=C([O-])C1=CC=C(C2=CC=C(Cl)S2)C=C1.[Na+] |
| Synonyms | 4-(5-CHLOROTHIOPHEN-2-YL)BENZOIC ACID,
290326-23-7,
4-(5-Chlorothien-2-yl)benzoic acid,
370864-78-1,
SCHEMBL1870857,
CTK4G2612,
DTXSID00679679,
HHYWNBOMTAPIOO-UHFFFAOYSA-N,
MFCD12547358,
SBB052803,
ZINC47476120,
4-(2-Chloro-5-thienyl)benzoic acid,
4-(5-chloro-2-thienyl)benzoic acid,
AKOS017552921,
KS-0000009I,
TS-00703,
4-(5-chloro-thiophen-2-yl)-benzoic acid,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.685g/mol |
| Monoisotopic Mass | 237.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number