4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
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![4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4f51f657461d4d5594be1f889b74ec37.png "4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid")
4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
structure -
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CAS No:
84100-04-9
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Formula:
C19H16ClN9O7S2
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Chemical Name:
4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-;Benzenesulfonic acid,4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-;4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
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CAS No:
4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Basic Attributes
581.96944
581.97
282-085-6
Computed Properties
Molecular Weight:582.0
XLogP3:1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:581.0302639
Monoisotopic Mass:581.0302639
Topological Polar Surface Area:260
Heavy Atom Count:38
Complexity:1150
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
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