5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid
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![5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/33719ca5ea1d49c590d88c8e4c06cdf5.png "5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid")
5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid
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CAS No:
89182-94-5
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Formula:
C26H14ClF2N9O13S3
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Chemical Name:
5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid
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Synonyms:
4-Pyridinecarboxylic acid,5-[2-[4-[7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-;4-Pyridinecarboxylic acid,3-[[4-[7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]azo]-1,2-dihydro-6-hydroxy-2-oxo-;2H-Naphtho[1,2-d]triazole,4-pyridinecarboxylic acid deriv.;5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid
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CAS No:
5-[2-[4-[7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5,9-disulfo-2H-naphtho[1,2-d]triazol-2-yl]-2-sulfophenyl]diazenyl]-1,2-dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid Basic Attributes
830.1 g/mol
830.09
Computed Properties
Molecular Weight:830.1
XLogP3:1.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:9
Exact Mass:828.9529791
Monoisotopic Mass:828.9529791
Topological Polar Surface Area:368
Heavy Atom Count:54
Complexity:1950
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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