2-(5-Fluoropyridin-2-yl)ethyl 4-methylbenzenesulfonate

HCID 59636712
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)OCCc2ccc(F)cn2)cc1
InChIKey
BPHIYJUODCJVDK-UHFFFAOYSA-N
Molecular formula
C14H14FNO3S
Average molar mass
295.33 g/mol
Monoisotopic mass
295.06784264

Names & identifiers

Preferred name
2-(5-Fluoropyridin-2-yl)ethyl 4-methylbenzenesulfonate
IUPAC
2-(5-fluoro-2-pyridinyl)ethyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL932051BPHIYJUODCJVDK-UHFFFAOYSA-N2-(5-fluoropyridin-2-yl)ethyl 4-methylbenzenesulfonate

Database identifiers

PubChem CID
59636712

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
64.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Related reactions

3 records
New reaction record

Linked notes

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