CAS
90940-73-1 Purity
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90940-73-1 Purity
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2-Bromo-5-(4-nitrobenzoyl)thiophene
CAS
909421-68-7
Catalog Number
ACM909421687
Category
Other Products
Molecular Weight
312.14
Molecular Formula
C11H6BrNO3S
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Specification
Synonyms
2-BROMO-5-(4-NITROBENZOYL)THIOPHENE, 909421-68-7, CTK5G8658, AKOS016018837, AG-H-73182, KB-169006
IUPAC Name
(5-bromothiophen-2-yl)-(4-nitrophenyl)methanone
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(S2)Br)[N+](=O)[O-]
InChI Key
LHVCLCGDOGUBPC-UHFFFAOYSA-N
Boiling Point
457.3ºC at 760 mmHg
Flash Point
230.4ºC
Density
1.686g/cm³
Exact Mass
310.92500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-Bromo-5-(4-nitrobenzoyl)thiophene?
The molecular formula is C11H6BrNO3S.
When was the compound created?
The compound was created on February 29, 2008.
What is the molecular weight of 2-Bromo-5-(4-nitrobenzoyl)thiophene?
The molecular weight is 312.14 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (5-bromothiophen-2-yl)-(4-nitrophenyl)methanone.
What is the Canonical SMILES of 2-Bromo-5-(4-nitrobenzoyl)thiophene?
The Canonical SMILES is C1=CC(=CC=C1C(=O)C2=CC=C(S2)Br)[N+](=O)[O-].
How many hydrogen bond acceptors are in the compound?
There are 4 hydrogen bond acceptors in the compound.
What is the XLogP3-AA value for 2-Bromo-5-(4-nitrobenzoyl)thiophene?
The XLogP3-AA value is 4.1.
What is the topological polar surface area of the compound?
The topological polar surface area is 91.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of 2-Bromo-5-(4-nitrobenzoyl)thiophene?
The InChIKey is LHVCLCGDOGUBPC-UHFFFAOYSA-N.
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