Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate

Name: Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate
SKU: ACM94138724
Rating: 5 (1 reviews)

CAS

94138-72-4

Catalog Number

ACM94138724

Category

Other Products

Molecular Weight

515.363150 [g/mol]

Molecular Formula

C₁₈H₁₈Cl₂N₂O₆S₂Na

COA MSDS SDS Spec Sheet

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Specification

Synonyms

EINECS 302-988-1, CID3023745, 94138-72-4, Sodium 2-((4-(3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate

IUPAC Name

sodium 2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl sulfate

SMILES

CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)Cl.[Na+]

InChI Key

FPGVRZFXCXXFJB-UHFFFAOYSA-M

EC Number

302-988-1

Exact Mass

513.98000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The molecular formula is C18H17Cl2N2NaO6S2.

When was Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate created?

It was created on 2008-02-05.

What is the molecular weight of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The molecular weight is 515.4 g/mol.

What is the IUPAC name of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The IUPAC name is sodium;2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl sulfate.

What is the InChIKey of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The InChIKey is FPGVRZFXCXXFJB-UHFFFAOYSA-M.

What is the Canonical SMILES of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The Canonical SMILES is CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)Cl.[Na+].

How many hydrogen bond acceptors does Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate have?

It has 8 hydrogen bond acceptors.

What is the topological polar surface area of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The topological polar surface area is 133 Å².

How many rotatable bond counts are there in Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

There are 7 rotatable bond counts.

What is the formal charge of Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?

The formal charge is 0.

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