3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
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![3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e40a622dcee1427584c7dca0e95ae667.png "3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid")
3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
30885-69-9
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Formula:
C27H30ClFN6O7S2
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Chemical Name:
3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
30885-69-9;NSC137769;DTXSID70300589;NSC-137769;DS-004694;3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;Ethanesulfonic acid--3-(3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl}benzamido)benzene-1-sulfonyl fluoride (1/1)
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CAS No:
3-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
669.1 g/mol
668.1289955 g/mol
137769
DTXSID70300589
Computed Properties
Molecular Weight:669.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:668.1289955
Monoisotopic Mass:668.1289955
Topological Polar Surface Area:224
Heavy Atom Count:44
Complexity:1140
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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