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Structure

3-Bromo-2-[[4-(diethylamino)-O-tolyl]azo]-5-nitrobenzonitrile

CAS
93805-39-1
Catalog Number
ACM93805391
Category
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What is the molecular formula of the compound with PubChem CID 3022487?

The molecular formula is C18H18BrN5O2.

What is the molecular weight of the compound?

The molecular weight is 416.3 g/mol.

What are some synonyms for this compound?

Some synonyms include 93805-39-1, EINECS 298-522-9, and 3-Bromo-2-[[4-(diethylamino)-O-tolyl]azo]-5-nitrobenzonitrile.

When was this compound created in PubChem?

It was created on August 8, 2005.

What is the IUPAC name of this compound?

The IUPAC name is 3-bromo-2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-5-nitrobenzonitrile.

What is the InChI key of this compound?

The InChI key is LERADLVSVWXSST-UHFFFAOYSA-N.

How many hydrogen bond acceptors does this compound have?

It has 6 hydrogen bond acceptors.

What is the topological polar surface area of this compound?

The topological polar surface area is 97.6 Ų.

How many rotatable bonds does this compound have?

It has 5 rotatable bonds.

Is the compound's structure canonicalized?

Yes, the compound is canonicalized.

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