3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonic acid
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![3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/922cc8f8413146a78d9e34bb55a2ea28.png "3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonic acid")
3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonic acid
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CAS No:
66209-87-8
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Formula:
C30H24FN9O10S3
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Chemical Name:
3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonic acid
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Synonyms:
3-[[4-[5-[[4-Fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenylazo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]-1,5-naphthalenedisulfonic acid;66209-87-8
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CAS No:
3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonic acid Basic Attributes
785.8 g/mol
785.07922968 g/mol
Computed Properties
Molecular Weight:785.8
XLogP3:3.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:10
Exact Mass:785.07922968
Monoisotopic Mass:785.07922968
Topological Polar Surface Area:308
Heavy Atom Count:53
Complexity:1740
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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