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2-Fluoro-3,4-dimethoxybenzyl acetate (HCID 53689459)|Huagongshe
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Compound
2-Fluoro-3,4-dimethoxybenzyl acetate
HCID
53689459
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
COc1ccc(COC(C)=O)c(F)c1OC
InChIKey
BMFNHOFJYSZLON-UHFFFAOYSA-N
Molecular formula
C11H13FO4
Average molar mass
228.22 g/mol
Names & identifiers
Preferred name
2-Fluoro-3,4-dimethoxybenzyl acetate
IUPAC
(2-fluoro-3,4-dimethoxyphenyl)methyl acetate
Names & synonyms
SCHEMBL8728262
BMFNHOFJYSZLON-UHFFFAOYSA-N
2-fluoro-3,4-dimethoxybenzyl acetate
Database identifiers
PubChem CID
53689459
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
234
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Show all 8 / 8
Related reactions
12 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
274489
As product
uspto-grants-1995_02
HRID
274490
As reactant
uspto-grants-1995_02
HRID
725357
As product
uspto-grants-1998_01
HRID
725358
As reactant
uspto-grants-1998_01
HRID
959812
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1211157
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1781847
As product
uspto-grants-1997_05
HRID
1781848
As reactant
uspto-grants-1997_05
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