2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
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![2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4ba2c04ee4c84172bb652ce6e296e139.png "2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid")
2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
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CAS No:
93858-80-1
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Formula:
C26H18Cl3N9O12S3
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Chemical Name:
2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
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Synonyms:
Benzoic acid,2-[[4-chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-;Benzoic acid,2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-;2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
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CAS No:
2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid Basic Attributes
851.02822
851.03
299-314-0
Computed Properties
Molecular Weight:851.0
XLogP3:3.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:11
Exact Mass:848.930264
Monoisotopic Mass:848.930264
Topological Polar Surface Area:346
Heavy Atom Count:53
Complexity:1780
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[[4-Chloro-6-[[3-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
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