2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone

C₆H₄BrClOSCAS 57731-17-6239.51 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₆H₄BrClOS
Molar mass: 239.51 g/mol
Exact mass: 237.8855 Da
logP: 2.98Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
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

57731-17-6

SMILES

C1=C(SC(=C1)Cl)C(=O)CBr

InChIKey

YIKFQMAUWNYCHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2

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Names and synonyms

1 names

2-(Bromoacetyl)-5-chlorothiophene

Work with 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone

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

5-Chloro-2-thiophenecarboxylic acid24065-33-655 % similar 5-Chlorothiophene-2-carbonyl chloride42518-98-952 % similar 2-Acetyl-5-chlorothiophene6310-09-450 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-649 % similar Ethyl 5-chlorothiophene-2-carboxylate5751-82-646 % similar 5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-846 % similar Methyl 5-chlorothiophene-2-carboxylate35475-03-746 % similar 2′-Bromo-4-chloroacetophenone536-38-946 % similar

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

Same formula

4-Bromo-3-methylthiophene-2-carbonyl chloride265652-36-6

Elsewhere

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