[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate
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[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate
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CAS No:
6086-95-9
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Formula:
C17H11N3O8S
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Chemical Name:
[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate
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Synonyms:
6086-95-9;4-[(2,4,6-Trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-nitrobenzene-1-sulfonate;CBMicro_044778;DTXSID90367452;ZINC2949344;MCULE-1539289704;[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate;BIM-0044630.P001;SR-01000227166;SR-01000227166-1
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CAS No:
[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Basic Attributes
417.4 g/mol
417.02668549 g/mol
DTXSID90367452
Computed Properties
Molecular Weight:417.4
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:417.02668549
Monoisotopic Mass:417.02668549
Topological Polar Surface Area:173
Heavy Atom Count:29
Complexity:804
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2,5-dimethylphenyl) 4-nitrobenzenesulfonate Structure
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