2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
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![2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/41ec6eb56c8b4bc7914c941800347062.png "2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid")
2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
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CAS No:
314760-29-7
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Formula:
C17H12N6O5S
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Chemical Name:
2-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
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Synonyms:
2-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid;CHEMBL4593292;C17H12N6O5S;ZINC2334211;STK051319;ZINC13943647;AKOS005385680;AKOS030506454;MCULE-9556940130;314760-29-7
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CAS No:
2-[[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:771
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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