4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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![4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/5ea4fd1678904b70b31738a089d6a160.png "4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid")
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
21320-47-8
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Formula:
C22H28ClFN6O6S2
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Chemical Name:
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
21320-47-8;NSC123461;DTXSID20298487;NSC-123461;Ethanesulfonic acid--4-{3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}benzene-1-sulfonyl fluoride (1/1)
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CAS No:
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
591.1 g/mol
590.1184308 g/mol
123461
DTXSID20298487
Computed Properties
Molecular Weight:591.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:590.1184308
Monoisotopic Mass:590.1184308
Topological Polar Surface Area:214
Heavy Atom Count:38
Complexity:972
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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