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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16260 - 2-nitrophenol
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ChEBI Ontology
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ChEBI Name
2-nitrophenol
ChEBI ID
CHEBI:16260
Definition
A member of the class of 2-nitrophenols that is phenol in which one of the hydrogens that is
ortho
to the hydroxy group has been replaced by a nitro group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11631, CHEBI:1225, CHEBI:19726
Supplier Information
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Molfile
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Molfile
Formula
C6H5NO3
Net Charge
0
Average Mass
139.10880
Monoisotopic Mass
139.02694
InChI
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKey
IQUPABOKLQSFBK-UHFFFAOYSA-N
SMILES
Oc1ccccc1[N+]([O-])=O
ChEBI Ontology
Outgoing
2-nitrophenol (
CHEBI:16260
)
is a
2-nitrophenols (
CHEBI:86421
)
2-nitrophenol (
CHEBI:16260
)
is conjugate acid of
2-nitrophenolate (
CHEBI:57703
)
Incoming
2-nitrophenyl β-
D
-galactoside (
CHEBI:90144
)
has functional parent
2-nitrophenol (
CHEBI:16260
)
2-nitrophenyl β-
D
-glucoside 6-phosphate (
CHEBI:91113
)
has functional parent
2-nitrophenol (
CHEBI:16260
)
2-nitrophenyl
N
-acetyl-α-
D
-glucosaminide (
CHEBI:90327
)
has functional parent
2-nitrophenol (
CHEBI:16260
)
2-nitrophenyl
N
-acetyl-β-
D
-glucosaminide (
CHEBI:90334
)
has functional parent
2-nitrophenol (
CHEBI:16260
)
2-nitrophenolate (
CHEBI:57703
)
is conjugate base of
2-nitrophenol (
CHEBI:16260
)
IUPAC Name
2-nitrophenol
Synonyms
Sources
2-hydroxynitrobenzene
NIST Chemistry WebBook
2-Nitrophenol
KEGG COMPOUND
o
-hydroxynitrobenzene
NIST Chemistry WebBook
o
-nitrophenol
ChemIDplus
Manual Xrefs
Databases
C01988
KEGG COMPOUND
CPD-258
MetaCyc
View more database links
Registry Numbers
Types
Sources
101867
Gmelin Registry Number
Gmelin
775403
Reaxys Registry Number
Reaxys
88-75-5
CAS Registry Number
ChemIDplus
88-75-5
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
23796307
PubMed citation
Europe PMC
24347320
PubMed citation
Europe PMC
Last Modified
05 February 2016