4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
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![4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b7feaa82ae1c4b4faaf8911458ab9ea3.png "4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid")
4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
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CAS No:
732922-62-2
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Formula:
C22H18N4O9S2
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Chemical Name:
4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
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Synonyms:
Orange B free acid;UNII-13D01Z5SBP;13D01Z5SBP;C.I. Acid Orange 137 parent;732922-62-2;SCHEMBL5409984;DTXSID0044286;SCHEMBL23064855;SCHEMBL23064857;Q27894667;1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-sulfo-1-naphthalenyl)diazenyl)-1-(4-sulfophenyl)-, 3-ethyl ester
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CAS No:
4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Basic Attributes
546.5 g/mol
546.05152051 g/mol
13D01Z5SBP
DTXSID0044286
Computed Properties
Molecular Weight:546.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:546.05152051
Monoisotopic Mass:546.05152051
Topological Polar Surface Area:209
Heavy Atom Count:37
Complexity:1170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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