4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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![4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d2a8a5e0299b4f47a14c19c9bb3268db.png "4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid")
4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
85946-19-6
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Formula:
C19H12Cl2N8O9S2
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Chemical Name:
4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid,4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;2-Pyrazoline-3-carboxylic acid,4-[5-[(4,6-dichloro-s-triazin-2-yl)amino]-2-sulfophenylazo]-5-oxo-1-p-sulfophenyl-;4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
4-[2-[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
631.4 g/mol
631.38
288-958-8
Computed Properties
Molecular Weight:631.4
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:629.9545717
Monoisotopic Mass:629.9545717
Topological Polar Surface Area:271
Heavy Atom Count:40
Complexity:1240
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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