2-(2,3,5,6-Tetrafluorophenoxy)-5-nitrobenzonitrile

HCID 9106965
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Basic information

Standard SMILES
N#Cc1cc([N+](=O)[O-])ccc1Oc1c(F)c(F)cc(F)c1F
InChIKey
MWOPWVGTTNFDRQ-UHFFFAOYSA-N
Molecular formula
C13H4F4N2O3
Average molar mass
312.18 g/mol

Names & identifiers

Preferred name
2-(2,3,5,6-Tetrafluorophenoxy)-5-nitrobenzonitrile
IUPAC
5-nitro-2-(2,3,5,6-tetrafluorophenoxy)benzonitrile

Names & synonyms

SCHEMBL11094044MWOPWVGTTNFDRQ-UHFFFAOYSA-N2-(2,3,5,6-tetrafluorophenoxy)-5-nitrobenzonitrile

Database identifiers

PubChem CID
9106965

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
78.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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