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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:27526 - 2-fluoroaniline
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ChEBI Ontology
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ChEBI Name
2-fluoroaniline
ChEBI ID
CHEBI:27526
Definition
A derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:39639, CHEBI:422230, CHEBI:19575, CHEBI:1095
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Formula
C6H6FN
Net Charge
0
Average Mass
111.11690
Monoisotopic Mass
111.04843
InChI
InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N
SMILES
Nc1ccccc1F
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-fluoroaniline (
CHEBI:27526
)
is a
fluoroaniline (
CHEBI:24069
)
2-fluoroaniline (
CHEBI:27526
)
is a
primary arylamine (
CHEBI:50471
)
IUPAC Name
2-fluoroaniline
Synonyms
Sources
1-amino-2-fluorobenzene
ChemIDplus
2-Fluoro-phenylamine
ChEMBL
2-Fluoroaniline
KEGG COMPOUND
2-FLUOROANILINE
PDBeChem
2-fluorobenzenamine
ChemIDplus
o
-aminofluorobenzene
ChEBI
o
-fluoroaniline
ChemIDplus
Manual Xrefs
Databases
1AN
PDBeChem
C11010
KEGG COMPOUND
DB02403
DrugBank
View more database links
Registry Numbers
Types
Sources
1524219
Beilstein Registry Number
Beilstein
348-54-9
CAS Registry Number
KEGG COMPOUND
348-54-9
CAS Registry Number
ChemIDplus
348-54-9
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
1816804
PubMed citation
Europe PMC
3092475
PubMed citation
Europe PMC
Last Modified
16 July 2015