| CAS Number | 338793-86-5 |
| Catalog Number | AG019WJ9 |
| Chemical Name | 5-(3,4-Dichlorophenyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(3,4-dichlorophenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H6Cl2O2S/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15) |
| InChI Key | DTTQYQNEMXQJDH-UHFFFAOYSA-N |
| MDL Number | MFCD01316824 |
| Molecular Formula | C11H6Cl2O2S |
| Molecular Weight | 273.1351 |
| SMILES | OC(C1SC(C2=CC(Cl)=C(Cl)C=C2)=CC=1)=O |
| Synonyms | 5-(3,4-dichlorophenyl)thiophene-2-carboxylic Acid,
338793-86-5,
AC1N7JN6,
AC1Q73GQ,
CTK7I8342,
KS-00003AZR,
ZINC5670934,
AKOS005096557,
6H-335S,
MCULE-9396926036,
NE42259,
EN300-52153,
5-(3,4-dichlorophenyl)-2-thiophenecarboxylic acid,
A1-11900,
Z752989132,
CID4328596,
|
| Complexity | 275 |
| 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