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CHEBI:231974 - roxarsone (III)

ChEBI IDCHEBI:231974
ChEBI Nameroxarsone (III)
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H5AsNO5
Net Charge-1
Average Mass246.030
Monoisotopic Mass245.93892
SMILESO=[N+]([O-])c1cc([As](O)O)ccc1[O-]
InChIInChI=1S/C6H6AsNO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9-11H/p-1
InChIKeyYAODANCEJHIXBW-UHFFFAOYSA-M
Roles Classification
Chemical Roles:
inorganic acid  A Brønsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
roxarsone (III) (CHEBI:231974) is a 2-nitrophenols (CHEBI:86421)
roxarsone (III) (CHEBI:231974) is a arsonous acids (CHEBI:50017)
IUPAC Name 
4-dihydroxyarsanyl-2-nitrophenolate
Synonyms  Source
rox(III)SUBMITTER
3-nitro-4-hydroxyphenylarseniteSUBMITTER
UniProt Name  Source
roxarsone (III)UniProt
Manual XrefsDatabases
CPD-22656MetaCyc