nitrobenzene (CHEBI:27798)

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ChEBI Name	nitrobenzene

ChEBI ID	CHEBI:27798

Definition	A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44199, CHEBI:7588, CHEBI:116696, CHEBI:25551

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Formula

C6H5NO2

Net Charge

Average Mass

123.10940

Monoisotopic Mass

123.03203

InChI

InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChIKey

LQNUZADURLCDLV-UHFFFAOYSA-N

SMILES

[O-][N+](=O)c1ccccc1

ChEBI Ontology
Outgoing	nitrobenzene (CHEBI:27798) is a nitroarene (CHEBI:51132) nitrobenzene (CHEBI:27798) is a nitrobenzenes (CHEBI:48109)

Incoming	(2-nitrophenyl)acetic acid (CHEBI:187870) has functional parent nitrobenzene (CHEBI:27798) 2-nitrobenzene-1,3,5-triol (CHEBI:32973) has functional parent nitrobenzene (CHEBI:27798) nimesulide (CHEBI:44445) has functional parent nitrobenzene (CHEBI:27798) o-nitrophenyl group (CHEBI:63755) is substituent group from nitrobenzene (CHEBI:27798) p-nitrophenyl group (CHEBI:61595) is substituent group from nitrobenzene (CHEBI:27798)

IUPAC Name

nitrobenzene

Last Modified

01 July 2015