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Arsonous acid,[4-[(aminocarbonyl)amino]phenyl]- (9CI) 5425-00-3 98%
Name】
Arsonous acid,[4-[(aminocarbonyl)amino]phenyl]- (9CI)
【CAS Registry number】
5425-00-3
【Synonyms】
Benzenearsonousacid, p-ureido- (6CI)
NSC 12702
【Molecular Formula】
C7H9 As N2 O3 (Products with the same molecular formula)
【Molecular Weight】
244.0796
【Inchi】
InChI=1/C7H9AsN2O3/c9-7(11)10-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H,(H3,9,10,11)
【Canonical SMILES】
C1=CC(=CC=C1NC(=O)N)[As](O)O
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:244.07956 [g/mol]
Molecular Formula:C7H9AsN2O3
H-Bond Donor:4
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:243.982914
MonoIsotopic Mass:243.982914
Topological Polar Surface Area:95.6
Heavy Atom Count:13
Formal Charge:0
Complexity:181
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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