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CHEBI:189220 - 2-Nitro-5-thiocyanatobenzoate

ChEBI IDCHEBI:189220
ChEBI Name2-Nitro-5-thiocyanatobenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H3N2O4S
Net Charge-1
Average Mass223.189
Monoisotopic Mass222.98190
SMILESN#CSc1ccc([N+](=O)[O-])c(C(=O)[O-])c1
InChIInChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)/p-1
InChIKeyNQUNIMFHIWQQGJ-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-Nitro-5-thiocyanatobenzoate (CHEBI:189220) is a nitrobenzoic acid (CHEBI:25553)
IUPAC Name 
2-nitro-5-thiocyanatobenzoate
Manual XrefsDatabases
5383822ChemSpider