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> Main
CHEBI:82420 - 1-chloro-3-nitrobenzene
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ChEBI Ontology
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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- hydrogens has been replaced by chlorine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C6H4ClNO2
Net Charge
0
Average Mass
157.555
Monoisotopic Mass
156.99306
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
View more database links
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
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
20 April 2022