CAS
936092-53-4 Purity
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936092-53-4 Purity
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Benzonitrile,2-(1-methylethyl)-5-nitro-
CAS
936125-96-1
Catalog Number
ACM936125961
Category
Other Products
Molecular Formula
C10H10N2O2
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What is the molecular formula of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The molecular formula is C10H10N2O2.
What is the molecular weight of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The molecular weight is 190.20 g/mol.
What is the IUPAC name of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The IUPAC name is 5-nitro-2-propan-2-ylbenzonitrile.
What is the InChIKey of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The InChIKey is JPEAQTSQLWTXNA-UHFFFAOYSA-N.
What is the Canonical SMILES of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The Canonical SMILES is CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])C#N.
What is the CAS number of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The CAS number is 936125-96-1.
What is the XLogP3-AA value for Benzonitrile, 2-(1-methylethyl)-5-nitro?
The XLogP3-AA value is 2.6.
How many hydrogen bond acceptors are in Benzonitrile, 2-(1-methylethyl)-5-nitro?
There are 3 hydrogen bond acceptors.
What is the topological polar surface area of Benzonitrile, 2-(1-methylethyl)-5-nitro?
The topological polar surface area is 69.6 Ų.
Is the compound canonicalized for Benzonitrile, 2-(1-methylethyl)-5-nitro?
Yes, the compound is canonicalized.
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