Isoquinolin-1-yl trifluoromethanesulfonate

Base Information

• Chemical Name: Isoquinolin-1-yl trifluoromethanesulfonate
• CAS No.: 123172-86-1
• Molecular Formula: C10H6F3NO3S
• Molecular Weight: 277.224
• DSSTox Substance ID: DTXSID10559352
• Nikkaji Number: J1.477.462I
• Wikidata: Q82442044
• Mol file: 123172-86-1.mol

Synonyms:Isoquinolin-1-yl trifluoromethanesulfonate;123172-86-1;SCHEMBL6638222;DTXSID10559352;LKRXPWBAEDPVJK-UHFFFAOYSA-N;1-trifluorometh-ylsulfonyloxyisoquinoline

Chemical Property of Isoquinolin-1-yl trifluoromethanesulfonate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 277.00204871
• Heavy Atom Count: 18
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2OS(=O)(=O)C(F)(F)F