CAS
93804-36-5 Purity
96%
93804-36-5 Purity
96%
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Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonate
CAS
93804-42-3
Catalog Number
ACM93804423
Category
Other Products
Molecular Weight
442.808750 [g/mol]
Molecular Formula
C17H13ClN4O5SNa
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Specification
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
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
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 Ų.
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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