3-Fluoro-4-nitrophenyl trifluoromethanesulfonate

HCID 21998735

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1F
InChIKey
ANXRHNZOWKWYFI-UHFFFAOYSA-N
Molecular formula
C7H3F4NO5S
Average molar mass
289.16 g/mol
Monoisotopic mass
288.96680602

Names & identifiers

Preferred name
3-Fluoro-4-nitrophenyl trifluoromethanesulfonate
IUPAC
(3-fluoro-4-nitrophenyl) trifluoromethanesulfonate

Names & synonyms

3-fluoro-4-nitrophenyl trifluoromethanesulfonate256935-94-1(3-Fluoro-4-nitro-phenyl) trifluoromethanesulfonate3-Fluoro-4-nitrophenyl triflate3-Fluoro-4-nitrophenyl trifluoromethanesulphonateSCHEMBL1578830MFCD18379767AKOS040768614DB-128367C91334(3-fluoro-4-nitrophenyl) trifluoromethanesulfonatetrifluoro-methanesulfonic acid 3-fluoro-4-nitro-phenyl ester

Database identifiers

PubChem CID
21998735

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
97.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
2
Heavy atoms
18

Related reactions

14 records

Compound notes

Loading…