2-(4-Nitrophenyl)-4-(2-fluoroethoxy)benzothiophene

HCID 86646554
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(-c2cc3c(OCCF)cccc3s2)cc1
InChIKey
WYJGSKBUBDAKJU-UHFFFAOYSA-N
Molecular formula
C16H12FNO3S
Average molar mass
317.3 g/mol

Names & identifiers

Preferred name
2-(4-Nitrophenyl)-4-(2-fluoroethoxy)benzothiophene
IUPAC
4-(2-fluoroethoxy)-2-(4-nitrophenyl)-1-benzothiophene

Names & synonyms

SCHEMBL3063522WYJGSKBUBDAKJU-UHFFFAOYSA-N2-(4-nitrophenyl)-4-(2-fluoroethoxy)benzothiophene

Database identifiers

PubChem CID
86646554

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
83.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

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