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Benzeneacetamide,N-(aminocarbonyl)-4-arsenoso- 5425-17-2 98%
【Name】
Benzeneacetamide,N-(aminocarbonyl)-4-arsenoso-
【Iupac name】
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,
4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
[(2R,3S,4R,5R)-5-(3-diazoniopyridin-1-ium-1-yl)-3,
4-dihydroxyoxolan-2-yl]methyl phosphate
【CAS Registry number】
5425-17-2
【Synonyms】
NSC 12723
【Molecular Formula】
C9H9 As N2 O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C9H9AsN2O3/c11-9(14)12-8(13)5-6-1-3-7(10-15)4-2-6/h1-4H,5H2,(H3,11,12,13,14)
【Canonical SMILES】
C1=CC(=CC=C1CC(=O)NC(=O)N)[As]=O
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:268.10096 [g/mol]
Molecular Formula:C9H9AsN2O3
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:5
Exact Mass:267.982914
MonoIsotopic Mass:267.982914
Topological Polar Surface Area:89.3
Heavy Atom Count:15
Formal Charge:0
Complexity:262
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
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