CHEBI:6616 - MC-7181

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ChEBI Name MC-7181
ChEBI ID CHEBI:6616
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H8Cl2FNO5
Net Charge 0
Average Mass 360.122
Monoisotopic Mass 358.97636
InChI InChI=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
InChIKey VDTUHFXWUUZATR-UHFFFAOYSA-N
SMILES COC(=O)c1cc(Oc2c(F)cc(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-7181 (CHEBI:6616) is a nitrobenzoic acid (CHEBI:25553)
Synonym Source
MC-7181 KEGG COMPOUND
Manual Xref Database
C11070 KEGG COMPOUND
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Last Modified
28 July 2014