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3-Fluoro-4-(1-methyl-heptyloxy)-benzaldehyde

HCID 14401080
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCC(C)Oc1ccc(C=O)cc1F
InChIKey
FDHKNMRYLUDCCD-UHFFFAOYSA-N
Molecular formula
C15H21FO2
Average molar mass
252.32 g/mol

Names & identifiers

Preferred name
3-Fluoro-4-(1-methyl-heptyloxy)-benzaldehyde
IUPAC
3-fluoro-4-octan-2-yloxybenzaldehyde

Names & synonyms

SCHEMBL9320543FDHKNMRYLUDCCD-UHFFFAOYSA-N3-fluoro-4-(1-methyl-heptyloxy)-benzaldehyde

Database identifiers

PubChem CID
14401080

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
18
Formal charge
0
Complexity
233

Related reactions

3 records
New reaction record
HRID 177377 reaction equation
HRID 177377As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 868472 reaction equation
HRID 868472As reactantuspto-grants-1988_10
HRID 1033698 reaction equation
HRID 1033698As reactantuspto-grants-1994_05

Compound notes

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