Basic information
- Standard SMILES
O=S(=O)(Oc1cc2c(Br)ccc(Cl)c2cn1)C(F)(F)F- InChIKey
GTFYGCNNEHLZSY-UHFFFAOYSA-N- Molecular formula
- C10H4BrClF3NO3S
- Average molar mass
- 390.56 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-8-chloroisoquinolin-3-yl trifluoromethanesulfonate
- IUPAC
- (5-bromo-8-chloroisoquinolin-3-yl) trifluoromethanesulfonate
Names & synonyms
5-Bromo-8-chloroisoquinolin-3-yl trifluoromethanesulfonateSCHEMBL1396954
Database identifiers
- PubChem CID
- 86649404
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
Related reactions
1 records
Compound notes
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