CAS
937795-97-6 Purity
96%
937795-97-6 Purity
96%
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1-[4-(3-Bromothien-2-yl)phenyl]ethanone
CAS
937796-01-5
Catalog Number
ACM937796015
Category
Other Products
Molecular Weight
281.1721
Molecular Formula
C12H9BrOS
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Specification
Synonyms
4'-(3-Bromothien-2-yl)acetophenone
IUPAC Name
1-[4-(3-bromothiophen-2-yl)phenyl]ethanone
InChI Key
AMADTVLVNSCDKW-UHFFFAOYSA-N
Boiling Point
353.5ºC at 760 mmHg
Melting Point
71.5-73ºC
Flash Point
167.6ºC
Density
1.465g/cm³
Exact Mass
279.95600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound represented by PubChem CID 24229756?
The molecular formula is C12H9BrOS.
What is the molecular weight of the compound?
The molecular weight is 281.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone.
What is the InChIKey of the compound?
The InChIKey is AMADTVLVNSCDKW-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are there in the compound?
There are 2 hydrogen bond acceptor counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 45.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the formal charge of the compound?
The formal charge is 0.
How many rotatable bond counts are there in the compound?
There are 2 rotatable bond counts in the compound.
What is the complexity value of the compound?
The complexity value is 236.
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