SODIUM HYDROGEN 4-AMINOPHENYLARSONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key OUFRIWNNMFWZTM-UHFFFAOYSA-L
Smiles [Na+].Nc1ccc(cc1)[As](=O)([O-])[O-]
InChI
InChI=1/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8AsNO3.Na
Molecular Weight 237.95
AlogP -5.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 89.21
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 127-85-5
NORMAN SUSDAT
CONTENTS