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2-((3-Fluorobenzyl)oxy)-5-nitrobenzaldehyde

HCID 2779560
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1
InChIKey
NHPUDKLPCIIKNM-UHFFFAOYSA-N
Molecular formula
C14H10FNO4
Average molar mass
275.23 g/mol

Names & identifiers

Preferred name
2-((3-Fluorobenzyl)oxy)-5-nitrobenzaldehyde
IUPAC
2-[(3-fluorophenyl)methoxy]-5-nitrobenzaldehyde

Names & synonyms

2-((3-Fluorobenzyl)oxy)-5-nitrobenzaldehyde219539-49-82-[(3-fluorophenyl)methoxy]-5-nitrobenzaldehyde2-(3-Fluorobenzyloxy)-5-nitrobenzaldehyde2-[(3-fluorobenzyl)oxy]-5-nitrobenzaldehydeMFCD00117030SCHEMBL4342277NHPUDKLPCIIKNM-UHFFFAOYSA-NAKOS0084051912-(3-Fluoro-benzyloxy)-5-nitro-benzaldehyde2-[(3-fluorophenyl)methoxy]-5-nitro-benzaldehyde

Database identifiers

PubChem CID
2779560

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
347

Related reactions

3 records
New reaction record
HRID 153328 reaction equation
HRID 153328As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1827425 reaction equation
HRID 1827425As productuspto-grants-2006_05
HRID 1884149 reaction equation
HRID 1884149As productuspto-grants-2004_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes