Ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate

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Basic information

Standard SMILES: CCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIKey: TUTOPZOWXAAHEW-UHFFFAOYSA-N
Molecular formula: C13H11ClO2S
Average molar mass: 266.74 g/mol
Monoisotopic mass: 266.0168285

Names & identifiers

Preferred name: Ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate
IUPAC: ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate

Names & synonyms

ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate19282-40-7MFCD00844281Maybridge3_004269ethyl 5-(4-chlorophenyl)-2-thiophenecarboxylateSCHEMBL1144728TUTOPZOWXAAHEW-UHFFFAOYSA-NHMS1443C01AKOS005144554IDI1_015656ST51045976AG-401/34853012

Show more names

2-Thiophenecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester

Database identifiers

PubChem CID: 2823745

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 264

Related reactions

6 records

New reaction record

HRID 1009807As productuspto-grants-2011_07

HRID 1009808As reactantuspto-grants-2011_07

HRID 1564976As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2125072As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2263658As productuspto-grants-2010_12

HRID 2263659As reactantuspto-grants-2010_12

Compound notes

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