Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
[4-(4-Fluorophenyl)oxolan-3-yl] methanesulfonate (HCID 87486990)|Huagongshe
Home
/
Compound
[4-(4-Fluorophenyl)oxolan-3-yl] methanesulfonate
HCID
87486990
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CS(=O)(=O)OC1COCC1c1ccc(F)cc1
InChIKey
FNBYNIWBKYLRDJ-UHFFFAOYSA-N
Molecular formula
C11H13FO4S
Average molar mass
260.28 g/mol
Names & identifiers
Preferred name
[4-(4-Fluorophenyl)oxolan-3-yl] methanesulfonate
IUPAC
[4-(4-fluorophenyl)oxolan-3-yl] methanesulfonate
Names & synonyms
SCHEMBL3158818
Database identifiers
PubChem CID
87486990
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
343
Show all 8
Show all 8 / 8
Related reactions
2 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
1223469
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2122223
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
Loading…