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Structure

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

CAS
62673-67-0
Catalog Number
ACM62673670
Category
Bromine Series
Molecular Weight
239.52
Molecular Formula
C6H4BrClOS

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Specification

Synonyms
1-(5-BROMO-THIOPHEN-2-YL)-2-CHLORO-ETHANONE
What is the molecular formula of the compound?

The molecular formula is C6H4BrClOS.

What is the molecular weight of the compound?

The molecular weight is 239.52 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(5-bromothiophen-2-yl)-2-chloroethanone.

What is the InChI of the compound?

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

What is the InChIKey of the compound?

The InChIKey is LLKNSKSZYVBKOO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=C(SC(=C1)Br)C(=O)CCl.

What is the CAS number of the compound?

The CAS number is 62673-67-0.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 673-349-5.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL142764.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.3.

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