2-Fluoro-6-hydroxy-4-(3-thienylmethoxy)benzonitrile

HCID 22010229
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Basic information

Standard SMILES
N#Cc1c(O)cc(OCc2ccsc2)cc1F
InChIKey
HPBBOWXVCMXVDE-UHFFFAOYSA-N
Molecular formula
C12H8FNO2S
Average molar mass
249.26 g/mol

Names & identifiers

Preferred name
2-Fluoro-6-hydroxy-4-(3-thienylmethoxy)benzonitrile
IUPAC
2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzonitrile

Names & synonyms

SCHEMBL7901088HPBBOWXVCMXVDE-UHFFFAOYSA-N2-fluoro-6-hydroxy-4-(3-thienylmethoxy)benzonitrile

Database identifiers

PubChem CID
22010229

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
81.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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