2-Thiophenecarboxylic acid, 4-chlorophenyl ester
(4-chlorophenyl) thiophene-2-carboxylate
Also Known As: 4-chlorophenyl thiophene-2-carboxylate|CBMicro_017926|(4-chlorophenyl) thiophene-2-carboxylate|4-chlorophenyl 2-thiophenecarboxylate|2-Thiophenecarboxylic acid, 4-chlorophenyl ester|CCG-6334|4-chlorophenyl-2-thiophenecarboxylate|BIM-0018032.P001|J1.036.082J|2-Thiophenecarboxylic acid 4-chlorophenyl ester|Thiophene-2-carboxylic acid p-chlorophenyl ester|AG-690/12887364|Thiophene-2-carboxylic acid 4-chloro-phenyl ester|SR-01000459880-1|thiophene-2-carboxylic acid-(4-chloro-phenyl ester)|F0777-2575
| Molecular Formula | C11H7ClO2S |
|---|---|
| Molecular Weight | 237.98553 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.98553 |
| Monoisotopic Mass | 237.98553 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 3441-41-6 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)Cl |
| InChIKey | RHDSCYYKAZNOCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 4-chlorophenyl ester (CAS 3441-41-6), with molecular formula C11H7ClO2S and molecular weight 237.98553 g/mol. IUPAC: (4-chlorophenyl) thiophene-2-carboxylate.