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Compound
4-[1,3]Dioxolan-2-yl-3-fluoro-benzaldehyde
HCID
59255459
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
O=Cc1ccc(C2OCCO2)c(F)c1
InChIKey
CJJLTNMJCDYLMJ-UHFFFAOYSA-N
Molecular formula
C10H9FO3
Average molar mass
196.17 g/mol
Names & identifiers
Preferred name
4-[1,3]Dioxolan-2-yl-3-fluoro-benzaldehyde
IUPAC
4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
Names & synonyms
SCHEMBL510933
CJJLTNMJCDYLMJ-UHFFFAOYSA-N
4-[1,3]Dioxolan-2-yl-3-fluoro-benzaldehyde
Database identifiers
PubChem CID
59255459
Properties
Computed structural properties
XLogP
0.9
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
204
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Related reactions
12 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
78228
As product
uspto-grants-2014_09
HRID
78229
As reactant
uspto-grants-2014_09
HRID
118484
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
640511
As product
uspto-grants-2010_04
HRID
640512
As reactant
uspto-grants-2010_04
HRID
1691334
As product
uspto-grants-2012_04
HRID
1691335
As reactant
uspto-grants-2012_04
HRID
1694182
As product
uspto-grants-2012_04
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