CHEBI:82420 - 1-chloro-3-nitrobenzene

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ChEBI Name 1-chloro-3-nitrobenzene
ChEBI ID CHEBI:82420
Definition A C-nitro compound that is nitrobenzene in which one of the meta- hydrogens has been replced by chlorine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H4ClNO2
Net Charge 0
Average Mass 157.555
Monoisotopic Mass 156.993
InChI InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChIKey KMAQZIILEGKYQZ-UHFFFAOYSA-N
SMILES [N+](=O)([O-])C1=CC=CC(=C1)Cl
ChEBI Ontology
Outgoing 1-chloro-3-nitrobenzene (CHEBI:82420) is a C-nitro compound (CHEBI:35716)
1-chloro-3-nitrobenzene (CHEBI:82420) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
1-chloro-3-nitrobenzene
Synonyms Sources
1-chloro-3-nitrobenzene UniProt
3-chloronitrobenzene ChEBI
3-nitrochlorobenzene ChEBI
chloro-m-nitrobenzene ChemIDplus
m-chloronitrobenzene ChemIDplus
m-nitrochlorobenzene ChemIDplus
metachloronitrobenzene ChemIDplus
Manual Xrefs Databases
C19364 KEGG COMPOUND
CPD-18107 MetaCyc
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Registry Numbers Types Sources
121-73-3 CAS Registry Number KEGG COMPOUND
121-73-3 CAS Registry Number NIST Chemistry WebBook
121-73-3 CAS Registry Number ChemIDplus
1907947 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11823201 PubMed citation Europe PMC
11879984 PubMed citation Europe PMC
18601274 PubMed citation Europe PMC
22998012 PubMed citation Europe PMC
9097109 PubMed citation Europe PMC
Last Modified
24 September 2018