Ethyl2-bromothiophene-3-carboxylate

C₇H₇BrO₂SCAS 632325-50-9235.09 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇BrO₂S
Molar mass: 235.09 g/mol
Exact mass: 233.9350 Da
logP: 2.69Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

632325-50-9

SMILES

CCOC(=O)C1=C(SC=C1)Br

InChIKey

PDYDQPWWVZTVQD-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2H2,1H3

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Names and synonyms

1 names

Ethyl 2-bromothiophene-3-carboxylate

Work with Ethyl2-bromothiophene-3-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

Ethyl 2-aminothiophene-3-carboxylate31891-06-262 % similar Ethyl 2-bromobenzoate6091-64-157 % similar Diethyl phthalate84-66-256 % similar Diethyl 2,5-dibromobenzene-1,4-dicarboxylate18013-97-356 % similar Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-753 % similar Ethyl 3-bromopyridine-4-carboxylate13959-01-850 % similar Ethyl 2-thiophenecarboxylate2810-04-050 % similar Ethyl 2-bromonicotinate53087-78-850 % similar

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

Same formula

4-Bromo-3-thiophenecarboxylic acid ethyl ester224449-33-6 4-Bromophenyl methyl sulfone3466-32-8 3-Bromophenylmethylsulfone34896-80-5 Ethyl 5-bromothiophene-2-carboxylate5751-83-7

Elsewhere

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