4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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![4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b84467de47ea4a08b3c043262309a13c.png "4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid")
4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
77394-55-9
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Formula:
C16H13N4O9PS
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Chemical Name:
4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-4-[(3-phosphonophenyl)azo]-1-(4-sulfophenyl)-;4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
4,5-Dihydro-5-oxo-4-[2-(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
468.33500
468.33
278-682-6
Computed Properties
Molecular Weight:468.3
XLogP3:-0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:468.01408618
Monoisotopic Mass:468.01408618
Topological Polar Surface Area:215
Heavy Atom Count:31
Complexity:933
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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