4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
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![4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a3e3394afbdf42cc8997235b46721e0a.png "4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid")
4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
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CAS No:
314291-34-4
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Formula:
C17H12N6O5S
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Chemical Name:
4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
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Synonyms:
4-[2-(1-(aminocarbothioyl)-3-{4-nitrophenyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzoic acid;4-{2-[1-(Aminocarbothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoic acid;314291-34-4;AN-329/40210103;ARONIS019580;SCHEMBL13668077;STK037841;ZINC12275780;AKOS000486696;AKOS003244825;ZINC100005568;ZINC252460723;MCULE-4331184737;4-{(2E)-2-[1-(aminocarbonothioyl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoic acid;4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
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CAS No:
4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid Basic Attributes
412.4 g/mol
412.05898868 g/mol
Computed Properties
Molecular Weight:412.4
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:412.05898868
Monoisotopic Mass:412.05898868
Topological Polar Surface Area:198
Heavy Atom Count:29
Complexity:763
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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