3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;ethanesulfonic acid
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![3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f292b343d5a9453982c17d5141bd57d5.png "3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;ethanesulfonic acid")
3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;ethanesulfonic acid
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CAS No:
50508-22-0
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Formula:
C21H25ClN6O4S
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Chemical Name:
3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;ethanesulfonic acid
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Synonyms:
50508-22-0;NSC143007;DTXSID00964734;NSC-143007;DS-004692;3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;Ethanesulfonic acid--3-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]methyl}benzonitrile (1/1)
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CAS No:
3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile;ethanesulfonic acid Basic Attributes
493.0 g/mol
492.1346522 g/mol
143007
Computed Properties
Molecular Weight:493.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:492.1346522
Monoisotopic Mass:492.1346522
Topological Polar Surface Area:176
Heavy Atom Count:33
Complexity:759
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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