1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone

CAS
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CAS
97511-06-3
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM97511063

Product Name

1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone

Structure

Structure

CAS

97511-06-3

Category

Heterocyclic Organic Compound

Synonyms

1-(1-BENZOTHIEN-2-YL)-2-BROMOETHANONE;1-(1-BENZOTHIOPHEN-2-YL)-2-BROMO-1-ETHANONE;BUTTPARK 95\50-72;1-(Benzo[b]thiophen-2-yl)-2-bromoethan-1-one

IUPAC Name

1-(1-benzothiophen-2-yl)-2-bromoethanone

Molecular Weight

255.131

Molecular Formula

C₁₀H₇BrOS

Canonical SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)CBr

InChI Key

WVTSOGFICBVCRE-UHFFFAOYSA-N

Boiling Point

352ºC at 760 mmHg

Melting Point

117.5-118.5ºC

Flash Point

166.7ºC

Density

1.617 g/cm³

Exact Mass

253.94000

Hazard Statements

C: Corrosive;

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone?

The molecular formula is C10H7BrOS.

When was 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone created and modified?

It was created on July 19, 2005, and last modified on December 30, 2023.

What is the IUPAC name of 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone?

The IUPAC name is 1-(1-benzothiophen-2-yl)-2-bromoethanone.

What is the InChIKey of 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone?

The InChIKey is WVTSOGFICBVCRE-UHFFFAOYSA-N.

What is the molecular weight of 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone?

The molecular weight is 255.13 g/mol.

How many hydrogen bond acceptors does 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone have?

It has 2 hydrogen bond acceptors.

What is the topological polar surface area of 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone?

The topological polar surface area is 45.3 Å².

Does 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.

How many rotatable bonds does 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone have?

It has 2 rotatable bonds.

Is 1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone a canonicalized compound?

Yes, it is a canonicalized compound.

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