1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?)
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![1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f137dab866334765b03f1cbda30448d0.png "1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?)")
1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?)
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CAS No:
83399-90-0
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Formula:
C20H16ClF2N7O11S3.xNa
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Chemical Name:
1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?)
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Synonyms:
1,3-Benzenedisulfonic acid,2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-,sodium salt (1:?);1,3-Benzenedisulfonic acid,2-amino-5-[[2-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-1,3-dioxobutyl]amino]-,sodium salt
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CAS No:
1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?) Basic Attributes
765.9716364
764.918
280-403-8
Computed Properties
Molecular Weight:766.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:7
Exact Mass:764.9184846
Monoisotopic Mass:764.9184846
Topological Polar Surface Area:332
Heavy Atom Count:47
Complexity:1340
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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1,3-Benzenedisulfonic acid, 2-amino-5-[[2-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1,3-dioxobutyl]amino]-, sodium salt (1:?)
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