8-Bromoisoquinolin-3-yl trifluoromethanesulfonate

HCID 59636388
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(Oc1cc2cccc(Br)c2cn1)C(F)(F)F
InChIKey
YXRBTFISACBTRG-UHFFFAOYSA-N
Molecular formula
C10H5BrF3NO3S
Average molar mass
356.12 g/mol

Names & identifiers

Preferred name
8-Bromoisoquinolin-3-yl trifluoromethanesulfonate
IUPAC
(8-bromoisoquinolin-3-yl) trifluoromethanesulfonate

Names & synonyms

8-bromoisoquinolin-3-yl trifluoromethanesulfonate880644-65-5SCHEMBL1396980SCHEMBL31248919DB-384397F964768-Bromo-3-isoquinolinyl 1,1,1-trifluoromethanesulfonate

Database identifiers

PubChem CID
59636388

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
64.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
19

Related reactions

4 records
New reaction record

Compound notes

Loading…