Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate

Name: Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate
SKU: ACM94133876
Rating: 5 (1 reviews)

CAS

94133-87-6

Catalog Number

ACM94133876

Category

Other Products

Molecular Weight

483.688770 [g/mol]

Molecular Formula

C₁₆H₁₁Cl₃N₄O₄SNa

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Specification

Synonyms

EINECS 302-751-2, CID3023655, 94133-87-6, Sodium 2,5-dichloro-4-(4-((2-chlorophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

IUPAC Name

sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

Canonical SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI Key

JEXQGUHOLFFCFL-UHFFFAOYSA-M

EC Number

302-751-2

Exact Mass

481.93900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The molecular formula is C16H10Cl3N4NaO4S.

When was Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate created?

It was created on 2008-02-05.

What is the molecular weight of Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The molecular weight is 483.7 g/mol.

How many hydrogen bond acceptors does Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate have?

It has 7 hydrogen bond acceptors.

What is the topological polar surface area of Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The topological polar surface area is 123 Å².

How many covalently-bonded unit counts does Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate have?

It has 2 covalently-bonded unit counts.

What is the IUPAC Name of Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The IUPAC Name is sodium;2,5-dichloro-4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.

How many rotatable bond counts does Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate have?

It has 4 rotatable bond counts.

What is the InChIKey of Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate?

The InChIKey is JEXQGUHOLFFCFL-UHFFFAOYSA-M.

Is Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.