CAS
28741-08-4 Purity
95%
28741-08-4 Purity
95%
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3-Acetyl-5-chlorothiophene-2-boronic acid
CAS
1451390-79-6
Catalog Number
ACM1451390796
Category
Boronic Acids
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What is the molecular formula of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The molecular formula is C6H6BClO3S.
What is the molecular weight of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The molecular weight is 204.44 g/mol.
What is the IUPAC name of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The IUPAC name is (3-acetyl-5-chlorothiophen-2-yl)boronic acid.
What is the InChI of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The InChI is InChI=1S/C6H6BClO3S/c1-3(9)4-2-5(8)12-6(4)7(10)11/h2,10-11H,1H3.
What is the InChIKey of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The InChIKey is IQJXOKRAHLVSJN-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The canonical SMILES is B(C1=C(C=C(S1)Cl)C(=O)C)(O)O.
What is the hydrogen bond donor count of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The hydrogen bond acceptor count is 4.
How many rotatable bonds are there in 3-Acetyl-5-chlorothiophene-2-boronic acid?
There are 2 rotatable bonds.
What is the topological polar surface area of 3-Acetyl-5-chlorothiophene-2-boronic acid?
The topological polar surface area is 85.8 Ų.
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