EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6616 - MC-7181

ChEBI IDCHEBI:6616
ChEBI NameMC-7181
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H8Cl2FNO5
Net Charge0
Average Mass360.124
Monoisotopic Mass358.97636
SMILESCOC(=O)c1cc(Oc2c(F)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl2FNO5/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
InChIKeyVDTUHFXWUUZATR-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-7181 (CHEBI:6616) is a nitrobenzoic acid (CHEBI:25553)
Synonym  Source
MC-7181KEGG COMPOUND
Manual XrefsDatabases
C11070KEGG COMPOUND