2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)

C₆H₅FO₂SCAS 100421-52-1160.16 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅FO₂S
Molar mass: 160.16 g/mol
Exact mass: 159.9994 Da
logP: 1.67Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

100421-52-1

SMILES

COC(=O)C1=C(C=CS1)F

InChIKey

UKIUEFZYSXIGPY-UHFFFAOYSA-N

InChI

InChI=1S/C6H5FO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3

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Names and synonyms

1 names

Methyl 3-fluorothiophene-2-carboxylate

Work with 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-aminothiophene-2-carboxylate22288-78-462 % similar Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-753 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-853 % similar 3-Fluoro-2-thiophenecarboxylic acid32431-84-851 % similar Methyl 2-fluorobenzoate394-35-450 % similar Methyl 3,4-difluorobenzoate369-25-549 % similar Methyl 2-amino-3-thiophenecarboxylate4651-81-447 % similar Methyl 4-bromo-2,6-difluorobenzoate773134-11-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzenesulfonyl fluoride368-43-4

Elsewhere

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