CAS
94136-08-0 Purity
96%
94136-08-0 Purity
96%
![Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate](https://resource.alfa-chemistry.com/structure/94138-72-4.gif)
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Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate
CAS
94138-71-3
Catalog Number
ACM94138713
Category
Other Products
Molecular Weight
466.891510 [g/mol]
Molecular Formula
C17H17ClN2O6S2Na
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Specification
Synonyms
EINECS 302-987-6, CID3023743, Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate, 94138-71-3
IUPAC Name
sodium 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl sulfate
Canonical SMILES
C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+]
InChI Key
SCHJOQNFJJUICL-UHFFFAOYSA-M
EC Number
302-987-6
Exact Mass
466.00400
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The molecular formula is C17H16ClN2NaO6S2.
What is the synonym of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The synonym is Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate.
What is the molecular weight of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The molecular weight is 466.9 g/mol.
What is the IUPAC name of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The IUPAC name is sodium;2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl sulfate.
What is the Canonical SMILES of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The Canonical SMILES is C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].
What is the CAS number for Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The CAS number is 94138-71-3.
How many hydrogen bond acceptors are in Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
There are 8 hydrogen bond acceptors.
What is the exact mass of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The exact mass is 466.0036006 g/mol.
How many rotatable bonds are in Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
There are 7 rotatable bonds.
What is the topological polar surface area of Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate?
The topological polar surface area is 133 Ų.
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