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Structure

Bis(3-((4-(diethylamino)-o-tolyl)azo)-1,2-dimethyl-5-phenyl-1H-pyrazolium) tetrachlorozincate

CAS
94277-66-4
Catalog Number
ACM94277664
Category
Other Products
Molecular Weight
936.2162

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What is the molecular formula of the compound?

The molecular formula of the compound is C44H56Cl4N10Zn.

What are the synonyms of the compound?

The synonyms of the compound are EINECS 304-651-4, Bis(3-((4-(diethylamino)-o-tolyl)azo)-1,2-dimethyl-5-phenyl-1H-pyrazolium) tetrachlorozincate, 94277-66-4, and DTXSID80241373.

When was the compound created and last modified?

The compound was created on April 19, 2013, and last modified on December 30, 2023.

What is the molecular weight of the compound?

The molecular weight of the compound is 932.2 g/mol.

What are the component compounds of the compound?

The component compounds are Tetrachlorozincate(2-) and 4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline;tetrachlorozinc(2-).

What is the InChI key of the compound?

The InChI key of the compound is MRPBOJCWMMBVON-UHFFFAOYSA-J.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.Cl[Zn-2](Cl)(Cl)Cl.

What is the CAS number of the compound?

The CAS number of the compound is 94277-66-4.

What are the computed properties of the compound?

Computed properties include molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.

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