| CAS Number | 1099660-24-8 |
| Catalog Number | AG019W1D |
| Chemical Name | 5-(3,5-Dichlorophenyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H6Cl2O2S/c12-7-3-6(4-8(13)5-7)9-1-2-10(16-9)11(14)15/h1-5H,(H,14,15) |
| InChI Key | WHLHVJQEBFYQDE-UHFFFAOYSA-N |
| MDL Number | MFCD11650602 |
| Molecular Formula | C11H6Cl2O2S |
| Molecular Weight | 273.1351 |
| SMILES | OC(C1SC(C2=CC(Cl)=CC(Cl)=C2)=CC=1)=O |
| Synonyms | 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid,
1099660-24-8,
AC1Q73GR,
SCHEMBL6416187,
CTK6G6922,
ZINC36379595,
AKOS008127590,
MCULE-9430806121,
NE23074,
NCGC00339282-01,
EN300-50122,
AB01331797-02,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.127g/mol |
| Monoisotopic Mass | 271.947g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number