Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)
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![Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/da22c2fab1ec4221bd8e769c3819e0f1.png "Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)")
Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)
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CAS No:
22478-95-1
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Formula:
C20H20ClFN6O4S.C2H6O3S
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Chemical Name:
Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)
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Synonyms:
Ethanesulfonic acid,compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1);Ethanesulfonic acid,compd. with m-[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride (1:1);Benzenesulfonyl fluoride,m-[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]carbamoyl]-,monoethanesulfonate;NSC 114923
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CAS No:
Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1) Basic Attributes
605.05900
604.0976954 g/mol
LR77ZH25N0
114923
Computed Properties
Molecular Weight:605.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:604.0976954
Monoisotopic Mass:604.0976954
Topological Polar Surface Area:247
Heavy Atom Count:39
Complexity:853
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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