CHEBI:6614 - MC-5127

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ChEBI Name MC-5127
ChEBI ID CHEBI:6614
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H11Cl2NO5
Net Charge 0
Average Mass 356.158
Monoisotopic Mass 355.00143
InChI InChI=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
InChIKey KIDNVGVZYUJAHZ-UHFFFAOYSA-N
SMILES CCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing MC-5127 (CHEBI:6614) is a nitrobenzoic acid (CHEBI:25553)
Synonym Source
MC-5127 KEGG COMPOUND
Manual Xref Database
C11068 KEGG COMPOUND
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Last Modified
28 July 2014