4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
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![4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/53aaf3b59a384cdba628fd69158fc013.png "4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid")
4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
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CAS No:
52084-86-3
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Formula:
C32H21ClF2N6O11S3
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Chemical Name:
4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
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Synonyms:
SCHEMBL12173024;SCHEMBL14615368;4-(Benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-1,7-naphthalenedisulfonic acid;4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid;52084-86-3
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CAS No:
4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid Basic Attributes
835.2 g/mol
834.0087030 g/mol
Computed Properties
Molecular Weight:835.2
XLogP3:5.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:834.0087030
Monoisotopic Mass:834.0087030
Topological Polar Surface Area:300
Heavy Atom Count:55
Complexity:1730
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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