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alpha-(2-fluorophenyl)-N-t-butylnitrone (HCID 85599391)|Huagongshe
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Compound
alpha-(2-fluorophenyl)-N-t-butylnitrone
HCID
85599391
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)(C)[N+]([O-])=Cc1ccccc1F
InChIKey
VDXPZZPESMKOGH-UHFFFAOYSA-N
Molecular formula
C11H14FNO
Average molar mass
195.23 g/mol
Names & identifiers
Preferred name
alpha-(2-fluorophenyl)-N-t-butylnitrone
IUPAC
N-tert-butyl-1-(2-fluorophenyl)methanimine oxide
Names & synonyms
SCHEMBL7921428
VDXPZZPESMKOGH-UHFFFAOYSA-N
alpha-(2-fluorophenyl)-N-t-butylnitrone
Database identifiers
PubChem CID
85599391
Properties
Computed structural properties
XLogP
2
Topological polar surface area
28.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
220
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
203979
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
636721
As product
uspto-grants-2001_02
Compound notes
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