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CHEBI:6613 - MC-4379

ChEBI IDCHEBI:6613
ChEBI NameMC-4379
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H9Cl2NO5
Net Charge0
Average Mass342.134
Monoisotopic Mass340.98578
SMILESCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
InChIKeySUSRORUBZHMPCO-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-4379 (CHEBI:6613) is a nitrobenzoic acid (CHEBI:25553)
Synonyms  Source
MC-4379KEGG COMPOUND
MC-4379KEGG COMPOUND
Manual XrefsDatabases
C11066KEGG COMPOUND
77PPDB
Registry NumbersSources
CAS:42576-02-3KEGG COMPOUND