Methyl 3-chlorothiophene-2-carboxylate

C₆H₅ClO₂SCAS 88105-17-3176.61 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅ClO₂S
Molar mass: 176.61 g/mol
Exact mass: 175.9699 Da
logP: 2.19Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88105-17-3

SMILES

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

InChIKey

ZWKYYONTMGVPSP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3

Weigh it out

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Work with Methyl 3-chlorothiophene-2-carboxylate

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-methylthiophene-2-carboxylate81452-54-262 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-160 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-660 % similar Methyl 3-hydroxythiophene-2-carboxylate5118-06-960 % similar Methyl 3-methoxythiophene-2-carboxylate62353-75-760 % similar Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-756 % similar Methyl 2,6-dichlorobenzoate14920-87-753 % similar

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

Same formula

Methyl 5-chlorothiophene-2-carboxylate35475-03-7 Benzenesulfonyl chloride98-09-9

Elsewhere

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