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4-[1,3]Dioxolan-2-yl-3-fluoro-benzaldehyde

HCID 59255459
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL510933CJJLTNMJCDYLMJ-UHFFFAOYSA-N4-[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

Related reactions

12 records
New reaction record
HRID 78228 reaction equation
HRID 78228As productuspto-grants-2014_09
HRID 78229 reaction equation
HRID 78229As reactantuspto-grants-2014_09
HRID 118484 reaction equation
HRID 118484As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 640511 reaction equation
HRID 640511As productuspto-grants-2010_04
HRID 640512 reaction equation
HRID 640512As reactantuspto-grants-2010_04
HRID 1691334 reaction equation
HRID 1691334As productuspto-grants-2012_04
HRID 1691335 reaction equation
HRID 1691335As reactantuspto-grants-2012_04
HRID 1694182 reaction equation
HRID 1694182As productuspto-grants-2012_04
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Compound notes

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