CAS
957062-61-2 Purity
96%
957062-61-2 Purity
96%
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4-Bromo-1-(2-bromo-benzenesulfonyl)-1H-pyrazole
CAS
957062-77-0
Catalog Number
ACM957062770
Category
Other Products
Molecular Formula
C9H6Br2N2O2S
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What is the molecular formula of 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
The molecular formula is C9H6Br2N2O2S.
When was 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole created and last modified?
It was created on 2009-05-28 and last modified on 2023-12-30.
What is the IUPAC name of 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
The IUPAC name is 4-bromo-1-(2-bromophenyl)sulfonylpyrazole.
What is the InChI of 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
The InChI is InChI=1S/C9H6Br2N2O2S/c10-7-5-12-13(6-7)16(14,15)9-4-2-1-3-8(9)11/h1-6H.
What is the InChIKey of 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
The InChIKey is SWTMIZJXKCERLX-UHFFFAOYSA-N.
What is the canonical SMILES notation for 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
The canonical SMILES notation is C1=CC=C(C(=C1)S(=O)(=O)N2C=C(C=N2)Br)Br.
How many hydrogen bond acceptor counts does 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
The topological polar surface area is 60.3 Ų.
How many heavy atoms are present in 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole?
There are 16 heavy atoms present.
Is 4-Bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole canonicalized?
Yes, the compound is canonicalized.
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