CAS
97508-57-1 Purity
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97508-57-1 Purity
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1-(1-Benzothiophen-2-yl)-2-bromo-1-ethanone
CAS
97511-06-3
Catalog Number
ACM97511063
Category
Other Products
Molecular Weight
255.131
Molecular Formula
C10H7BrOS
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Specification
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
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
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 Ų.
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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