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CHEBI:6615 - MC-6063

ChEBI IDCHEBI:6615
ChEBI NameMC-6063
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H9ClFNO5
Net Charge0
Average Mass325.679
Monoisotopic Mass325.01533
SMILESCOC(=O)c1cc(Oc2ccc(F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClFNO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(16)6-11(13)15/h2-7H,1H3
InChIKeyROCVQRONLLDHFQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
MC-6063 (CHEBI:6615) is a nitrobenzoic acid (CHEBI:25553)
Synonym  Source
MC-6063KEGG COMPOUND
Manual XrefsDatabases
C11069KEGG COMPOUND