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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:48722 - 2-nitroanisole
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ChEBI Ontology
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ChEBI Name
2-nitroanisole
ChEBI ID
CHEBI:48722
Definition
A member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens
ortho
to the methoxy group is replaced by a nitro group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C7H7NO3
Net Charge
0
Average Mass
153.13542
Monoisotopic Mass
153.04259
InChI
InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChIKey
CFBYEGUGFPZCNF-UHFFFAOYSA-N
SMILES
COc1ccccc1[N+]([O-])=O
Roles Classification
Biological Role
(s):
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-nitroanisole (
CHEBI:48722
)
has role
carcinogenic agent (
CHEBI:50903
)
2-nitroanisole (
CHEBI:48722
)
is a
2-nitroanisoles (
CHEBI:48727
)
IUPAC Name
1-methoxy-2-nitrobenzene
Synonyms
Sources
1-Nitro-2-methoxybenzene
ChemIDplus
o
-methoxynitrobenzene
ChEBI
o-Nitroanisole
ChemIDplus
o-Nitroanisole
KEGG COMPOUND
o-Nitrophenyl methyl ether
ChemIDplus
Manual Xrefs
Databases
C19270
KEGG COMPOUND
CN101643419
Patent
View more database links
Registry Numbers
Types
Sources
1868032
Reaxys Registry Number
Reaxys
1868032
Beilstein Registry Number
Beilstein
91-23-6
CAS Registry Number
NIST Chemistry WebBook
91-23-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16601807
PubMed citation
Europe PMC
21187827
PubMed citation
Europe PMC
21217841
PubMed citation
Europe PMC
21946300
PubMed citation
Europe PMC
Last Modified
28 January 2015