4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
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![4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/75daecbee89c4eb39652d8240bf01464.png "4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid")
4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
31000-03-0
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Formula:
C21H27ClFN5O6S2
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Chemical Name:
4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
31000-03-0;NSC131025;ethanesulfonic acid- 4-{1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]ethyl}benzenesulfonyl fluoride(1:1);DTXSID70299484;NSC-131025
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CAS No:
4-[1-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
564.1 g/mol
563.1075318 g/mol
131025
DTXSID70299484
Computed Properties
Molecular Weight:564.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:563.1075318
Monoisotopic Mass:563.1075318
Topological Polar Surface Area:195
Heavy Atom Count:36
Complexity:898
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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