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2-(3-Fluoro-4-n-nonyloxyphenyl)-5-(4-n-hexylphenyl)pyrazine

HCID 14716100
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCOc1ccc(-c2cnc(-c3ccc(CCCCCC)cc3)cn2)cc1F
InChIKey
LSPOILMKKUOIJD-UHFFFAOYSA-N
Molecular formula
C31H41FN2O
Average molar mass
476.7 g/mol

Names & identifiers

Preferred name
2-(3-Fluoro-4-n-nonyloxyphenyl)-5-(4-n-hexylphenyl)pyrazine
IUPAC
2-(3-fluoro-4-nonoxyphenyl)-5-(4-hexylphenyl)pyrazine

Names & synonyms

SCHEMBL8984212LSPOILMKKUOIJD-UHFFFAOYSA-N2-(3-fluoro-4-n-nonyloxyphenyl)-5-(4-n-hexylphenyl)pyrazine

Database identifiers

PubChem CID
14716100

Properties

Computed structural properties

XLogP
10.1
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
16
Heavy atoms
35
Formal charge
0
Complexity
524

Related reactions

3 records
New reaction record
HRID 293857 reaction equation
HRID 293857As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 358805 reaction equation
HRID 358805As productuspto-grants-1991_03
HRID 653814 reaction equation
HRID 653814As productuspto-grants-1992_07

Compound notes

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