CAS
94233-37-1 Purity
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94233-37-1 Purity
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3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile
CAS
94236-81-4
Catalog Number
ACM94236814
Category
Other Products
Molecular Formula
C8H7ClN4
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What is the molecular formula of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The molecular formula is C8H7ClN4.
What is the molecular weight of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The molecular weight is 194.62 g/mol.
What is the IUPAC name of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The IUPAC name is [(5-chloro-2-methylphenyl)diazenyl]cyanamide.
What is the InChI of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The InChI is InChI=1S/C8H7ClN4/c1-6-2-3-7(9)4-8(6)12-13-11-5-10/h2-4H,1H3,(H,11,12).
What is the InChIKey of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The InChIKey is PXYNLRQWJQPSSZ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The canonical SMILES is CC1=C(C=C(C=C1)Cl)N=NNC#N.
What is the XLogP3-AA value of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The XLogP3-AA value is 3.5.
How many hydrogen bond donor counts are there in 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
The topological polar surface area is 60.5?2.
Is the compound canonicalized for 3-(5-Chloro-o-tolyl)-1-triazene-1-carbonitrile?
Yes, the compound is canonicalized.
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CAS
94236-85-8 Purity
96%
94236-85-8 Purity
96%
