4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
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![4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/671cd20c8eb147d387f616d528d113f8.png "4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid")
4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
20110-96-7
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Formula:
C21H27ClFN5O5S2
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Chemical Name:
4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
20110-96-7;NSC123030;ethanesulfonic acid- 4-{2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]ethyl}benzenesulfonyl fluoride(1:1);OTHER CA NAMES:;DTXSID60298421;NSC-123030;Benzenesulfonyl fluoride,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]ethyl]-, monoethanesulfonate;Benzenesulfonyl fluoride,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenethyl]-, monoethanesulfonate;Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]ethyl]benzenesulfonyl fluoride (1:1)
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CAS No:
4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
548.1 g/mol
547.1126172 g/mol
123030
DTXSID60298421
Computed Properties
Molecular Weight:548.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:547.1126172
Monoisotopic Mass:547.1126172
Topological Polar Surface Area:185
Heavy Atom Count:35
Complexity:864
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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