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CHEBI:6612 - MC-3761

ChEBI IDCHEBI:6612
ChEBI NameMC-3761
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H8Cl3NO5
Net Charge0
Average Mass376.579
Monoisotopic Mass374.94681
SMILESCOC(=O)c1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl3NO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3
InChIKeyKZPZKNHAIWLBJQ-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-3761 (CHEBI:6612) is a nitrobenzoic acid (CHEBI:25553)
Synonym  Source
MC-3761KEGG COMPOUND
Manual XrefsDatabases
C11067KEGG COMPOUND