CAS
948294-64-2 Purity
96%
948294-64-2 Purity
96%
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3,5-Dinitro-o-tolunitrile
CAS
948-31-2
Catalog Number
ACM948312
Category
Other Products
Molecular Weight
207.14
Molecular Formula
C8H5N3O4
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Specification
Synonyms
2-CYANO-4,6-DINITRO-1-METHYLBENZENE;AKOS BB-9520;3,5-Dinitro-o-tolunitril
What is the molecular formula of 3,5-Dinitro-o-tolunitrile?
The molecular formula of 3,5-Dinitro-o-tolunitrile is C8H5N3O4.
What is the molecular weight of 3,5-Dinitro-o-tolunitrile?
The molecular weight of 3,5-Dinitro-o-tolunitrile is 207.14 g/mol.
What are some synonyms for 3,5-Dinitro-o-tolunitrile?
Some synonyms for 3,5-Dinitro-o-tolunitrile include 2-Methyl-3,5-dinitrobenzonitrile and Dinitolmide.
What is the IUPAC name of 3,5-Dinitro-o-tolunitrile?
The IUPAC name of 3,5-Dinitro-o-tolunitrile is 2-methyl-3,5-dinitrobenzonitrile.
What is the InChIKey of 3,5-Dinitro-o-tolunitrile?
The InChIKey of 3,5-Dinitro-o-tolunitrile is FJPAWDYXHVKZRC-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 3,5-Dinitro-o-tolunitrile?
The Canonical SMILES representation of 3,5-Dinitro-o-tolunitrile is CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N.
How many hydrogen bond acceptors are there in 3,5-Dinitro-o-tolunitrile?
There are 5 hydrogen bond acceptors in 3,5-Dinitro-o-tolunitrile.
What is the topological polar surface area of 3,5-Dinitro-o-tolunitrile?
The topological polar surface area of 3,5-Dinitro-o-tolunitrile is 115 Å2.
Is 3,5-Dinitro-o-tolunitrile a canonical structure?
Yes, 3,5-Dinitro-o-tolunitrile is a canonical structure.
When was 3,5-Dinitro-o-tolunitrile last modified in the reference?
3,5-Dinitro-o-tolunitrile was last modified on December 30, 2023.
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