4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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![4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f88007db48524400ba01e7ab2f3b5015.png "4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid")
4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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CAS No:
83784-13-8
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Formula:
C16H12ClN5O7S
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Chemical Name:
4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-[4-[2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-;Benzenesulfonic acid,4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-;Benzenesulfonic acid,p-[4-(3-chloro-2-hydroxy-5-nitrophenylazo)-3-methyl-5-oxo-2-pyrazolin-1-yl]-;4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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CAS No:
4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid Basic Attributes
453.81378
453.81
280-844-6
Computed Properties
Molecular Weight:453.8
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:453.0145966
Monoisotopic Mass:453.0145966
Topological Polar Surface Area:186
Heavy Atom Count:30
Complexity:847
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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