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CHEBI:6614 - MC-5127

ChEBI IDCHEBI:6614
ChEBI NameMC-5127
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H11Cl2NO5
Net Charge0
Average Mass356.161
Monoisotopic Mass355.00143
SMILESCCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2NO5/c1-2-22-15(19)11-8-10(4-5-13(11)18(20)21)23-14-6-3-9(16)7-12(14)17/h3-8H,2H2,1H3
InChIKeyKIDNVGVZYUJAHZ-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-5127 (CHEBI:6614) is a nitrobenzoic acid (CHEBI:25553)
Synonym  Source
MC-5127KEGG COMPOUND
Manual XrefsDatabases
C11068KEGG COMPOUND