5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid
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![5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/edfa5fc9ab9448c8beb58cf69923de95.png "5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid")
5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid
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CAS No:
29194-44-3
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Formula:
C16H13ClN4O8S2
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Chemical Name:
5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,5-chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxy-;Benzenesulfonic acid,5-chloro-2-hydroxy-3-[[3-methyl-5-oxo-1-(m-sulfophenyl)-2-pyrazolin-4-yl]azo]-;Benzenesulfonic acid,5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-2-hydroxy-;5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid
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CAS No:
5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid Basic Attributes
488.87942
488.88
249-498-3
Computed Properties
Molecular Weight:488.9
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:487.9863334
Monoisotopic Mass:487.9863334
Topological Polar Surface Area:203
Heavy Atom Count:31
Complexity:975
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-2-hydroxybenzenesulfonic acid
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