Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate

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CAS
93804-42-3
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Purity
96%
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Catalog Number

ACM93804423

Product Name

Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate

Structure

Structure

CAS

93804-42-3

Category

Heterocyclic Organic Compound

Synonyms

EINECS 298-417-8, CID3022431, 93804-42-3, Sodium 4-chloro-3-(4-((3-formylphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

IUPAC Name

sodium 4-chloro-3-[4-[(3-formylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

Molecular Weight

442.808750 [g/mol]

Molecular Formula

C₁₇H₁₃ClN₄O₅SNa

Canonical SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C=O)C3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+]

InChI Key

QYQNJMDSCFOQHH-UHFFFAOYSA-M

EC Number

298-417-8

Exact Mass

442.01100

H-Bond Acceptor

8

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The molecular formula is C17H12ClN4NaO5S.

When was Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate created?

It was created on February 5, 2008.

What is the molecular weight of Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The molecular weight is 442.8 g/mol.

What are the synonyms for Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

Some synonyms include EINECS 298-417-8 and 93804-42-3.

What is the InChI key for Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The InChI key is QYQNJMDSCFOQHH-UHFFFAOYSA-M.

How many hydrogen bond acceptor count does Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate have?

It has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The topological polar surface area is 140 Å².

How many rotatable bond counts does Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate have?

It has 5 rotatable bond counts.

What is the exact mass of Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The exact mass is 442.0114626 g/mol.

How many covalently-bonded unit counts does Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate have?

It has 2 covalently-bonded unit counts.

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